USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 784 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 168:sc= 0.946 (180deg=-0.0185) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.398 K(o=1.3,f=-9!) USER MOD Set 2.1: A 73 GLN : amide:sc= 0 X(o=0.079,f=-0.074) USER MOD Set 2.2: A 74 TYR OH : rot -165:sc= 0.0792 USER MOD Set 3.1: A 28 HIS : no HD1:sc= -0.729 K(o=-0.73,f=-11!) USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.043 (180deg=-0.34) USER MOD Single : A 1 MET N :NH3+ 169:sc= 0.967 (180deg=0.485!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -140:sc= 0 USER MOD Single : A 10 THR OG1 : rot 68:sc= 1.24 USER MOD Single : A 15 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 16 CYS SG : rot -65:sc= -3.4! USER MOD Single : A 22 THR OG1 : rot -58:sc= 1.17 USER MOD Single : A 24 THR OG1 : rot -110:sc= -0.951 USER MOD Single : A 27 SER OG : rot -92:sc= 1.32 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0392) USER MOD Single : A 54 LYS NZ :NH3+ 171:sc= 0.661 (180deg=0.63) USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= -0.0299 (180deg=-0.142) USER MOD Single : A 61 THR OG1 : rot 72:sc= 1 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 65 ASN : amide:sc= 0.764 K(o=0.76,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 134:sc= 0.937 (180deg=0.154) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= -0.0496 (180deg=-0.375) USER MOD Single : A 96 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-1.4) USER MOD Single : A 97 HIS : no HD1:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.142 K(o=-0.14,f=-0.68) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.788 2.242 3.307 1.00 0.00 N ATOM 2 CA MET A 1 -13.456 2.743 2.909 1.00 0.00 C ATOM 3 C MET A 1 -12.458 2.530 4.066 1.00 0.00 C ATOM 4 O MET A 1 -12.045 3.482 4.736 1.00 0.00 O ATOM 5 CB MET A 1 -13.552 4.238 2.481 1.00 0.00 C ATOM 6 CG MET A 1 -14.512 4.511 1.307 1.00 0.00 C ATOM 7 SD MET A 1 -16.244 4.158 1.698 1.00 0.00 S ATOM 8 CE MET A 1 -16.597 5.357 2.987 1.00 0.00 C ATOM 0 H1 MET A 1 -15.497 2.550 2.611 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.770 1.203 3.347 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.036 2.620 4.244 1.00 0.00 H new ATOM 0 HA MET A 1 -13.090 2.185 2.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.873 4.828 3.340 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.557 4.588 2.208 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.420 5.555 1.008 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.210 3.906 0.452 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.675 5.433 3.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.131 5.037 3.919 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.200 6.330 2.698 1.00 0.00 H new ATOM 20 N THR A 2 -12.114 1.246 4.313 1.00 0.00 N ATOM 21 CA THR A 2 -11.233 0.826 5.433 1.00 0.00 C ATOM 22 C THR A 2 -10.233 -0.268 4.989 1.00 0.00 C ATOM 23 O THR A 2 -9.451 -0.756 5.821 1.00 0.00 O ATOM 24 CB THR A 2 -12.065 0.268 6.647 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.844 -0.861 6.215 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.994 1.322 7.282 1.00 0.00 C ATOM 0 H THR A 2 -12.439 0.467 3.741 1.00 0.00 H new ATOM 0 HA THR A 2 -10.688 1.718 5.742 1.00 0.00 H new ATOM 0 HB THR A 2 -11.349 -0.026 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.361 -1.210 6.971 1.00 0.00 H new ATOM 0 HG21 THR A 2 -13.539 0.874 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 2 -12.399 2.158 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.702 1.680 6.535 1.00 0.00 H new ATOM 34 N SER A 3 -10.262 -0.654 3.691 1.00 0.00 N ATOM 35 CA SER A 3 -9.446 -1.777 3.164 1.00 0.00 C ATOM 36 C SER A 3 -7.933 -1.464 3.198 1.00 0.00 C ATOM 37 O SER A 3 -7.534 -0.342 3.552 1.00 0.00 O ATOM 38 CB SER A 3 -9.902 -2.128 1.729 1.00 0.00 C ATOM 39 OG SER A 3 -11.271 -2.504 1.700 1.00 0.00 O ATOM 0 H SER A 3 -10.844 -0.202 2.986 1.00 0.00 H new ATOM 0 HA SER A 3 -9.604 -2.638 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.744 -1.270 1.075 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.291 -2.942 1.340 1.00 0.00 H new ATOM 0 HG SER A 3 -11.532 -2.719 0.780 1.00 0.00 H new ATOM 45 N THR A 4 -7.110 -2.474 2.830 1.00 0.00 N ATOM 46 CA THR A 4 -5.639 -2.367 2.831 1.00 0.00 C ATOM 47 C THR A 4 -5.172 -1.117 2.054 1.00 0.00 C ATOM 48 O THR A 4 -4.416 -0.318 2.593 1.00 0.00 O ATOM 49 CB THR A 4 -4.972 -3.653 2.235 1.00 0.00 C ATOM 50 OG1 THR A 4 -5.489 -4.810 2.906 1.00 0.00 O ATOM 51 CG2 THR A 4 -3.441 -3.635 2.374 1.00 0.00 C ATOM 0 H THR A 4 -7.452 -3.385 2.524 1.00 0.00 H new ATOM 0 HA THR A 4 -5.323 -2.268 3.870 1.00 0.00 H new ATOM 0 HB THR A 4 -5.209 -3.682 1.172 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.764 -5.451 3.059 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.026 -4.548 1.946 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.038 -2.771 1.846 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.172 -3.574 3.429 1.00 0.00 H new ATOM 59 N PHE A 5 -5.713 -0.928 0.828 1.00 0.00 N ATOM 60 CA PHE A 5 -5.431 0.256 -0.017 1.00 0.00 C ATOM 61 C PHE A 5 -5.702 1.568 0.742 1.00 0.00 C ATOM 62 O PHE A 5 -4.869 2.463 0.727 1.00 0.00 O ATOM 63 CB PHE A 5 -6.273 0.232 -1.335 1.00 0.00 C ATOM 64 CG PHE A 5 -6.344 1.600 -2.043 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.218 2.149 -2.656 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.524 2.362 -2.035 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.262 3.408 -3.217 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.560 3.619 -2.613 1.00 0.00 C ATOM 69 CZ PHE A 5 -6.430 4.138 -3.206 1.00 0.00 C ATOM 0 H PHE A 5 -6.357 -1.591 0.397 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.373 0.212 -0.275 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.843 -0.500 -2.018 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.285 -0.102 -1.105 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.300 1.581 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.414 1.962 -1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.374 3.825 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.474 4.193 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.460 5.117 -3.662 1.00 0.00 H new ATOM 79 N ASP A 6 -6.881 1.661 1.378 1.00 0.00 N ATOM 80 CA ASP A 6 -7.353 2.891 2.056 1.00 0.00 C ATOM 81 C ASP A 6 -6.404 3.285 3.188 1.00 0.00 C ATOM 82 O ASP A 6 -6.067 4.462 3.335 1.00 0.00 O ATOM 83 CB ASP A 6 -8.782 2.699 2.611 1.00 0.00 C ATOM 84 CG ASP A 6 -9.782 2.351 1.505 1.00 0.00 C ATOM 85 OD1 ASP A 6 -9.802 1.186 1.066 1.00 0.00 O ATOM 86 OD2 ASP A 6 -10.525 3.243 1.045 1.00 0.00 O ATOM 0 H ASP A 6 -7.540 0.885 1.440 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.370 3.692 1.317 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.777 1.906 3.359 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.101 3.611 3.115 1.00 0.00 H new ATOM 91 N ARG A 7 -5.961 2.269 3.952 1.00 0.00 N ATOM 92 CA ARG A 7 -5.002 2.434 5.062 1.00 0.00 C ATOM 93 C ARG A 7 -3.634 2.921 4.549 1.00 0.00 C ATOM 94 O ARG A 7 -3.036 3.822 5.139 1.00 0.00 O ATOM 95 CB ARG A 7 -4.843 1.095 5.835 1.00 0.00 C ATOM 96 CG ARG A 7 -6.150 0.559 6.461 1.00 0.00 C ATOM 97 CD ARG A 7 -6.671 1.441 7.609 1.00 0.00 C ATOM 98 NE ARG A 7 -8.018 1.032 8.057 1.00 0.00 N ATOM 99 CZ ARG A 7 -8.305 0.000 8.878 1.00 0.00 C ATOM 100 NH1 ARG A 7 -7.353 -0.830 9.309 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.561 -0.211 9.247 1.00 0.00 N ATOM 0 H ARG A 7 -6.260 1.303 3.816 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.395 3.192 5.740 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.445 0.342 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.105 1.232 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.915 0.489 5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.980 -0.451 6.834 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.978 1.388 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.698 2.481 7.283 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.806 1.582 7.713 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.385 -0.691 9.018 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.593 -1.603 9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.302 0.404 8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.787 -0.989 9.867 1.00 0.00 H new ATOM 115 N VAL A 8 -3.173 2.346 3.416 1.00 0.00 N ATOM 116 CA VAL A 8 -1.877 2.692 2.786 1.00 0.00 C ATOM 117 C VAL A 8 -1.928 4.103 2.179 1.00 0.00 C ATOM 118 O VAL A 8 -0.959 4.850 2.247 1.00 0.00 O ATOM 119 CB VAL A 8 -1.506 1.652 1.664 1.00 0.00 C ATOM 120 CG1 VAL A 8 -0.189 2.019 0.932 1.00 0.00 C ATOM 121 CG2 VAL A 8 -1.423 0.237 2.256 1.00 0.00 C ATOM 0 H VAL A 8 -3.690 1.627 2.910 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.113 2.665 3.562 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.301 1.680 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.023 1.271 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.294 2.997 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.631 2.047 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.166 -0.472 1.469 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.658 0.212 3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.387 -0.034 2.688 1.00 0.00 H new ATOM 131 N ALA A 9 -3.079 4.441 1.593 1.00 0.00 N ATOM 132 CA ALA A 9 -3.337 5.746 0.970 1.00 0.00 C ATOM 133 C ALA A 9 -3.361 6.848 2.041 1.00 0.00 C ATOM 134 O ALA A 9 -2.924 7.972 1.790 1.00 0.00 O ATOM 135 CB ALA A 9 -4.660 5.711 0.181 1.00 0.00 C ATOM 0 H ALA A 9 -3.874 3.805 1.536 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.533 5.969 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.838 6.685 -0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.599 4.951 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.481 5.472 0.857 1.00 0.00 H new ATOM 141 N THR A 10 -3.894 6.497 3.234 1.00 0.00 N ATOM 142 CA THR A 10 -3.850 7.357 4.434 1.00 0.00 C ATOM 143 C THR A 10 -2.399 7.577 4.889 1.00 0.00 C ATOM 144 O THR A 10 -2.017 8.696 5.197 1.00 0.00 O ATOM 145 CB THR A 10 -4.701 6.751 5.607 1.00 0.00 C ATOM 146 OG1 THR A 10 -6.046 6.534 5.153 1.00 0.00 O ATOM 147 CG2 THR A 10 -4.727 7.655 6.865 1.00 0.00 C ATOM 0 H THR A 10 -4.367 5.607 3.389 1.00 0.00 H new ATOM 0 HA THR A 10 -4.285 8.320 4.165 1.00 0.00 H new ATOM 0 HB THR A 10 -4.229 5.812 5.895 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.053 5.820 4.481 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.330 7.183 7.640 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.711 7.797 7.232 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.158 8.623 6.609 1.00 0.00 H new ATOM 155 N ILE A 11 -1.605 6.491 4.907 1.00 0.00 N ATOM 156 CA ILE A 11 -0.168 6.530 5.250 1.00 0.00 C ATOM 157 C ILE A 11 0.602 7.490 4.323 1.00 0.00 C ATOM 158 O ILE A 11 1.318 8.357 4.808 1.00 0.00 O ATOM 159 CB ILE A 11 0.448 5.076 5.201 1.00 0.00 C ATOM 160 CG1 ILE A 11 -0.146 4.201 6.355 1.00 0.00 C ATOM 161 CG2 ILE A 11 1.995 5.087 5.236 1.00 0.00 C ATOM 162 CD1 ILE A 11 0.156 2.714 6.266 1.00 0.00 C ATOM 0 H ILE A 11 -1.943 5.555 4.683 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.071 6.911 6.267 1.00 0.00 H new ATOM 0 HB ILE A 11 0.170 4.631 4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.235 4.576 7.305 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.228 4.335 6.370 1.00 0.00 H new ATOM 0 HG21 ILE A 11 2.367 4.063 5.200 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.374 5.641 4.378 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.335 5.564 6.155 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.300 2.199 7.112 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.250 2.315 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.235 2.560 6.286 1.00 0.00 H new ATOM 174 N ILE A 12 0.412 7.344 2.997 1.00 0.00 N ATOM 175 CA ILE A 12 1.051 8.211 1.985 1.00 0.00 C ATOM 176 C ILE A 12 0.633 9.681 2.195 1.00 0.00 C ATOM 177 O ILE A 12 1.482 10.576 2.227 1.00 0.00 O ATOM 178 CB ILE A 12 0.696 7.758 0.514 1.00 0.00 C ATOM 179 CG1 ILE A 12 1.186 6.301 0.256 1.00 0.00 C ATOM 180 CG2 ILE A 12 1.279 8.727 -0.545 1.00 0.00 C ATOM 181 CD1 ILE A 12 0.955 5.779 -1.153 1.00 0.00 C ATOM 0 H ILE A 12 -0.188 6.623 2.597 1.00 0.00 H new ATOM 0 HA ILE A 12 2.129 8.119 2.113 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.389 7.785 0.417 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.253 6.250 0.475 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.684 5.636 0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.012 8.379 -1.543 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.872 9.726 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.364 8.759 -0.450 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.331 4.759 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.112 5.790 -1.375 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.481 6.413 -1.867 1.00 0.00 H new ATOM 193 N ALA A 13 -0.686 9.891 2.358 1.00 0.00 N ATOM 194 CA ALA A 13 -1.287 11.210 2.640 1.00 0.00 C ATOM 195 C ALA A 13 -0.638 11.913 3.852 1.00 0.00 C ATOM 196 O ALA A 13 -0.239 13.080 3.768 1.00 0.00 O ATOM 197 CB ALA A 13 -2.803 11.061 2.848 1.00 0.00 C ATOM 0 H ALA A 13 -1.374 9.141 2.297 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.099 11.845 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.240 12.038 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.255 10.646 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.991 10.394 3.689 1.00 0.00 H new ATOM 203 N GLU A 14 -0.526 11.183 4.965 1.00 0.00 N ATOM 204 CA GLU A 14 0.054 11.694 6.212 1.00 0.00 C ATOM 205 C GLU A 14 1.562 11.955 6.086 1.00 0.00 C ATOM 206 O GLU A 14 2.046 12.995 6.537 1.00 0.00 O ATOM 207 CB GLU A 14 -0.231 10.712 7.371 1.00 0.00 C ATOM 208 CG GLU A 14 -1.725 10.543 7.713 1.00 0.00 C ATOM 209 CD GLU A 14 -2.408 11.851 8.145 1.00 0.00 C ATOM 210 OE1 GLU A 14 -2.195 12.287 9.295 1.00 0.00 O ATOM 211 OE2 GLU A 14 -3.155 12.455 7.338 1.00 0.00 O ATOM 0 H GLU A 14 -0.837 10.214 5.028 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.420 12.652 6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.182 9.737 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.296 11.057 8.261 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.245 10.141 6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.826 9.809 8.512 1.00 0.00 H new ATOM 218 N THR A 15 2.288 11.029 5.431 1.00 0.00 N ATOM 219 CA THR A 15 3.759 11.092 5.336 1.00 0.00 C ATOM 220 C THR A 15 4.195 12.286 4.465 1.00 0.00 C ATOM 221 O THR A 15 5.042 13.085 4.873 1.00 0.00 O ATOM 222 CB THR A 15 4.367 9.765 4.757 1.00 0.00 C ATOM 223 OG1 THR A 15 3.938 8.652 5.551 1.00 0.00 O ATOM 224 CG2 THR A 15 5.913 9.782 4.734 1.00 0.00 C ATOM 0 H THR A 15 1.877 10.224 4.958 1.00 0.00 H new ATOM 0 HA THR A 15 4.140 11.223 6.349 1.00 0.00 H new ATOM 0 HB THR A 15 4.013 9.675 3.730 1.00 0.00 H new ATOM 0 HG1 THR A 15 2.974 8.519 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.281 8.841 4.325 1.00 0.00 H new ATOM 0 HG22 THR A 15 6.259 10.608 4.112 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.291 9.909 5.749 1.00 0.00 H new ATOM 232 N CYS A 16 3.567 12.414 3.284 1.00 0.00 N ATOM 233 CA CYS A 16 3.964 13.376 2.244 1.00 0.00 C ATOM 234 C CYS A 16 3.225 14.730 2.354 1.00 0.00 C ATOM 235 O CYS A 16 3.542 15.652 1.593 1.00 0.00 O ATOM 236 CB CYS A 16 3.669 12.739 0.871 1.00 0.00 C ATOM 237 SG CYS A 16 4.350 11.077 0.684 1.00 0.00 S ATOM 0 H CYS A 16 2.761 11.846 3.023 1.00 0.00 H new ATOM 0 HA CYS A 16 5.025 13.592 2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.590 12.699 0.723 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.075 13.379 0.088 1.00 0.00 H new ATOM 0 HG CYS A 16 5.649 11.135 0.706 1.00 0.00 H new ATOM 243 N ASP A 17 2.288 14.857 3.328 1.00 0.00 N ATOM 244 CA ASP A 17 1.373 16.021 3.454 1.00 0.00 C ATOM 245 C ASP A 17 0.615 16.299 2.124 1.00 0.00 C ATOM 246 O ASP A 17 0.889 17.271 1.406 1.00 0.00 O ATOM 247 CB ASP A 17 2.137 17.272 3.997 1.00 0.00 C ATOM 248 CG ASP A 17 1.231 18.485 4.284 1.00 0.00 C ATOM 249 OD1 ASP A 17 0.280 18.343 5.078 1.00 0.00 O ATOM 250 OD2 ASP A 17 1.470 19.592 3.743 1.00 0.00 O ATOM 0 H ASP A 17 2.145 14.152 4.051 1.00 0.00 H new ATOM 0 HA ASP A 17 0.606 15.778 4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.659 16.997 4.913 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.897 17.563 3.272 1.00 0.00 H new ATOM 255 N ILE A 18 -0.304 15.373 1.793 1.00 0.00 N ATOM 256 CA ILE A 18 -1.145 15.413 0.568 1.00 0.00 C ATOM 257 C ILE A 18 -2.555 14.865 0.913 1.00 0.00 C ATOM 258 O ILE A 18 -2.692 14.158 1.914 1.00 0.00 O ATOM 259 CB ILE A 18 -0.499 14.594 -0.636 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.047 13.171 -0.184 1.00 0.00 C ATOM 261 CG2 ILE A 18 0.669 15.372 -1.295 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.631 12.336 -1.262 1.00 0.00 C ATOM 0 H ILE A 18 -0.491 14.558 2.377 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.217 16.447 0.232 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.275 14.468 -1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.638 13.274 0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.919 12.628 0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.084 14.782 -2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.300 16.321 -1.684 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.445 15.561 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.908 11.365 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.055 12.194 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.526 12.850 -1.611 1.00 0.00 H new ATOM 274 N PRO A 19 -3.639 15.218 0.139 1.00 0.00 N ATOM 275 CA PRO A 19 -5.007 14.681 0.382 1.00 0.00 C ATOM 276 C PRO A 19 -5.093 13.181 0.048 1.00 0.00 C ATOM 277 O PRO A 19 -4.568 12.760 -0.980 1.00 0.00 O ATOM 278 CB PRO A 19 -5.920 15.524 -0.564 1.00 0.00 C ATOM 279 CG PRO A 19 -5.064 16.680 -0.995 1.00 0.00 C ATOM 280 CD PRO A 19 -3.646 16.167 -1.003 1.00 0.00 C ATOM 0 HA PRO A 19 -5.302 14.760 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.251 14.937 -1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.816 15.867 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.356 17.035 -1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -5.171 17.521 -0.310 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.399 15.673 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.923 16.971 -0.866 1.00 0.00 H new ATOM 288 N ARG A 20 -5.781 12.392 0.898 1.00 0.00 N ATOM 289 CA ARG A 20 -5.884 10.919 0.754 1.00 0.00 C ATOM 290 C ARG A 20 -6.597 10.531 -0.560 1.00 0.00 C ATOM 291 O ARG A 20 -6.284 9.494 -1.163 1.00 0.00 O ATOM 292 CB ARG A 20 -6.614 10.324 2.009 1.00 0.00 C ATOM 293 CG ARG A 20 -6.399 8.804 2.265 1.00 0.00 C ATOM 294 CD ARG A 20 -7.320 7.849 1.465 1.00 0.00 C ATOM 295 NE ARG A 20 -8.695 7.798 2.002 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.594 6.830 1.736 1.00 0.00 C ATOM 297 NH1 ARG A 20 -9.322 5.878 0.846 1.00 0.00 N ATOM 298 NH2 ARG A 20 -10.774 6.844 2.339 1.00 0.00 N ATOM 0 H ARG A 20 -6.284 12.756 1.707 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.881 10.495 0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.282 10.871 2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.683 10.507 1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.363 8.559 2.032 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.542 8.610 3.328 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.353 8.170 0.424 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.893 6.846 1.476 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.987 8.554 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.426 5.877 0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.009 5.150 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.999 7.586 3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.457 6.113 2.140 1.00 0.00 H new ATOM 312 N GLU A 21 -7.494 11.418 -1.040 1.00 0.00 N ATOM 313 CA GLU A 21 -8.341 11.147 -2.216 1.00 0.00 C ATOM 314 C GLU A 21 -7.534 11.269 -3.518 1.00 0.00 C ATOM 315 O GLU A 21 -7.921 10.697 -4.539 1.00 0.00 O ATOM 316 CB GLU A 21 -9.569 12.097 -2.238 1.00 0.00 C ATOM 317 CG GLU A 21 -9.230 13.601 -2.329 1.00 0.00 C ATOM 318 CD GLU A 21 -10.480 14.495 -2.299 1.00 0.00 C ATOM 319 OE1 GLU A 21 -11.009 14.758 -1.195 1.00 0.00 O ATOM 320 OE2 GLU A 21 -10.958 14.924 -3.375 1.00 0.00 O ATOM 0 H GLU A 21 -7.649 12.336 -0.625 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.703 10.122 -2.141 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.200 11.830 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.157 11.927 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.575 13.872 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.676 13.789 -3.249 1.00 0.00 H new ATOM 327 N THR A 22 -6.396 12.003 -3.476 1.00 0.00 N ATOM 328 CA THR A 22 -5.534 12.204 -4.662 1.00 0.00 C ATOM 329 C THR A 22 -4.560 11.021 -4.848 1.00 0.00 C ATOM 330 O THR A 22 -3.721 11.039 -5.752 1.00 0.00 O ATOM 331 CB THR A 22 -4.750 13.557 -4.581 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.820 13.529 -3.492 1.00 0.00 O ATOM 333 CG2 THR A 22 -5.705 14.749 -4.402 1.00 0.00 C ATOM 0 H THR A 22 -6.055 12.465 -2.633 1.00 0.00 H new ATOM 0 HA THR A 22 -6.187 12.249 -5.533 1.00 0.00 H new ATOM 0 HB THR A 22 -4.212 13.681 -5.521 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.300 13.354 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.128 15.672 -4.349 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.390 14.797 -5.248 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.274 14.624 -3.481 1.00 0.00 H new ATOM 341 N ILE A 23 -4.660 10.009 -3.962 1.00 0.00 N ATOM 342 CA ILE A 23 -4.001 8.709 -4.130 1.00 0.00 C ATOM 343 C ILE A 23 -5.080 7.722 -4.621 1.00 0.00 C ATOM 344 O ILE A 23 -6.022 7.418 -3.880 1.00 0.00 O ATOM 345 CB ILE A 23 -3.344 8.177 -2.783 1.00 0.00 C ATOM 346 CG1 ILE A 23 -2.187 9.108 -2.260 1.00 0.00 C ATOM 347 CG2 ILE A 23 -2.828 6.733 -2.956 1.00 0.00 C ATOM 348 CD1 ILE A 23 -2.626 10.418 -1.626 1.00 0.00 C ATOM 0 H ILE A 23 -5.207 10.078 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.184 8.807 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.132 8.189 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.601 8.551 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.524 9.335 -3.095 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.383 6.391 -2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.658 6.079 -3.223 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.077 6.707 -3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.748 10.978 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.183 11.006 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.262 10.211 -0.765 1.00 0.00 H new ATOM 360 N THR A 24 -4.965 7.271 -5.879 1.00 0.00 N ATOM 361 CA THR A 24 -5.938 6.355 -6.514 1.00 0.00 C ATOM 362 C THR A 24 -5.379 4.910 -6.513 1.00 0.00 C ATOM 363 O THR A 24 -4.171 4.732 -6.335 1.00 0.00 O ATOM 364 CB THR A 24 -6.245 6.838 -7.976 1.00 0.00 C ATOM 365 OG1 THR A 24 -5.063 6.774 -8.785 1.00 0.00 O ATOM 366 CG2 THR A 24 -6.798 8.277 -7.993 1.00 0.00 C ATOM 0 H THR A 24 -4.192 7.530 -6.492 1.00 0.00 H new ATOM 0 HA THR A 24 -6.869 6.362 -5.947 1.00 0.00 H new ATOM 0 HB THR A 24 -7.004 6.171 -8.385 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.758 7.682 -8.991 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.999 8.577 -9.021 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.722 8.319 -7.416 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.065 8.954 -7.554 1.00 0.00 H new ATOM 374 N PRO A 25 -6.223 3.836 -6.693 1.00 0.00 N ATOM 375 CA PRO A 25 -5.721 2.433 -6.722 1.00 0.00 C ATOM 376 C PRO A 25 -4.750 2.181 -7.896 1.00 0.00 C ATOM 377 O PRO A 25 -3.848 1.353 -7.789 1.00 0.00 O ATOM 378 CB PRO A 25 -7.015 1.582 -6.845 1.00 0.00 C ATOM 379 CG PRO A 25 -8.019 2.519 -7.438 1.00 0.00 C ATOM 380 CD PRO A 25 -7.705 3.874 -6.841 1.00 0.00 C ATOM 0 HA PRO A 25 -5.137 2.184 -5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.859 0.711 -7.482 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.342 1.212 -5.873 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.942 2.541 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.036 2.209 -7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.025 4.687 -7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.203 4.019 -5.882 1.00 0.00 H new ATOM 388 N GLU A 26 -4.902 2.952 -8.990 1.00 0.00 N ATOM 389 CA GLU A 26 -4.088 2.788 -10.205 1.00 0.00 C ATOM 390 C GLU A 26 -2.903 3.770 -10.207 1.00 0.00 C ATOM 391 O GLU A 26 -2.127 3.787 -11.164 1.00 0.00 O ATOM 392 CB GLU A 26 -4.975 2.992 -11.468 1.00 0.00 C ATOM 393 CG GLU A 26 -6.184 2.032 -11.556 1.00 0.00 C ATOM 394 CD GLU A 26 -7.060 2.274 -12.803 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.746 3.316 -12.862 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.064 1.433 -13.729 1.00 0.00 O ATOM 0 H GLU A 26 -5.590 3.702 -9.054 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.683 1.776 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.340 4.019 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.357 2.863 -12.357 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.823 1.003 -11.567 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.796 2.146 -10.662 1.00 0.00 H new ATOM 403 N SER A 27 -2.746 4.569 -9.120 1.00 0.00 N ATOM 404 CA SER A 27 -1.692 5.601 -9.049 1.00 0.00 C ATOM 405 C SER A 27 -0.323 4.948 -8.827 1.00 0.00 C ATOM 406 O SER A 27 -0.172 4.094 -7.943 1.00 0.00 O ATOM 407 CB SER A 27 -1.967 6.640 -7.933 1.00 0.00 C ATOM 408 OG SER A 27 -1.890 6.079 -6.637 1.00 0.00 O ATOM 0 H SER A 27 -3.334 4.515 -8.289 1.00 0.00 H new ATOM 0 HA SER A 27 -1.694 6.131 -10.002 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.248 7.455 -8.015 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.957 7.072 -8.080 1.00 0.00 H new ATOM 0 HG SER A 27 -2.779 5.774 -6.359 1.00 0.00 H new ATOM 414 N HIS A 28 0.644 5.327 -9.663 1.00 0.00 N ATOM 415 CA HIS A 28 2.031 4.889 -9.543 1.00 0.00 C ATOM 416 C HIS A 28 2.751 5.797 -8.531 1.00 0.00 C ATOM 417 O HIS A 28 2.874 6.984 -8.783 1.00 0.00 O ATOM 418 CB HIS A 28 2.733 4.959 -10.918 1.00 0.00 C ATOM 419 CG HIS A 28 4.015 4.181 -10.963 1.00 0.00 C ATOM 420 ND1 HIS A 28 5.128 4.567 -10.268 1.00 0.00 N ATOM 421 CD2 HIS A 28 4.267 3.015 -11.579 1.00 0.00 C ATOM 422 CE1 HIS A 28 6.026 3.632 -10.487 1.00 0.00 C ATOM 423 NE2 HIS A 28 5.549 2.673 -11.278 1.00 0.00 N ATOM 0 H HIS A 28 0.482 5.954 -10.451 1.00 0.00 H new ATOM 0 HA HIS A 28 2.062 3.856 -9.196 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.057 4.579 -11.684 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.938 6.001 -11.162 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.581 2.454 -12.197 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.025 3.641 -10.077 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.048 1.843 -11.597 1.00 0.00 H new ATOM 431 N ALA A 29 3.200 5.242 -7.398 1.00 0.00 N ATOM 432 CA ALA A 29 3.957 5.960 -6.347 1.00 0.00 C ATOM 433 C ALA A 29 5.082 6.881 -6.897 1.00 0.00 C ATOM 434 O ALA A 29 5.243 7.999 -6.420 1.00 0.00 O ATOM 435 CB ALA A 29 4.546 4.938 -5.357 1.00 0.00 C ATOM 0 H ALA A 29 3.047 4.259 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 29 3.249 6.621 -5.847 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.104 5.463 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.738 4.367 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.213 4.260 -5.888 1.00 0.00 H new ATOM 441 N ILE A 30 5.806 6.432 -7.936 1.00 0.00 N ATOM 442 CA ILE A 30 6.997 7.148 -8.452 1.00 0.00 C ATOM 443 C ILE A 30 6.607 8.062 -9.645 1.00 0.00 C ATOM 444 O ILE A 30 6.821 9.277 -9.609 1.00 0.00 O ATOM 445 CB ILE A 30 8.123 6.128 -8.885 1.00 0.00 C ATOM 446 CG1 ILE A 30 8.522 5.204 -7.683 1.00 0.00 C ATOM 447 CG2 ILE A 30 9.365 6.855 -9.473 1.00 0.00 C ATOM 448 CD1 ILE A 30 9.567 4.141 -8.007 1.00 0.00 C ATOM 0 H ILE A 30 5.590 5.572 -8.441 1.00 0.00 H new ATOM 0 HA ILE A 30 7.392 7.772 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 30 7.715 5.501 -9.678 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.900 5.829 -6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.625 4.709 -7.311 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.116 6.119 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.069 7.430 -10.350 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.782 7.527 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.777 3.553 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.189 3.486 -8.792 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.483 4.623 -8.347 1.00 0.00 H new ATOM 460 N ASP A 31 6.007 7.453 -10.684 1.00 0.00 N ATOM 461 CA ASP A 31 5.731 8.117 -11.984 1.00 0.00 C ATOM 462 C ASP A 31 4.472 9.010 -11.949 1.00 0.00 C ATOM 463 O ASP A 31 4.348 9.934 -12.765 1.00 0.00 O ATOM 464 CB ASP A 31 5.601 7.047 -13.104 1.00 0.00 C ATOM 465 CG ASP A 31 6.942 6.364 -13.416 1.00 0.00 C ATOM 466 OD1 ASP A 31 7.353 5.454 -12.668 1.00 0.00 O ATOM 467 OD2 ASP A 31 7.610 6.754 -14.398 1.00 0.00 O ATOM 0 H ASP A 31 5.696 6.482 -10.651 1.00 0.00 H new ATOM 0 HA ASP A 31 6.574 8.775 -12.193 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.874 6.294 -12.801 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.216 7.516 -14.009 1.00 0.00 H new ATOM 472 N ASP A 32 3.541 8.739 -11.019 1.00 0.00 N ATOM 473 CA ASP A 32 2.253 9.477 -10.924 1.00 0.00 C ATOM 474 C ASP A 32 2.238 10.403 -9.688 1.00 0.00 C ATOM 475 O ASP A 32 2.093 11.621 -9.826 1.00 0.00 O ATOM 476 CB ASP A 32 1.064 8.477 -10.888 1.00 0.00 C ATOM 477 CG ASP A 32 -0.321 9.148 -10.807 1.00 0.00 C ATOM 478 OD1 ASP A 32 -0.912 9.461 -11.864 1.00 0.00 O ATOM 479 OD2 ASP A 32 -0.832 9.356 -9.684 1.00 0.00 O ATOM 0 H ASP A 32 3.650 8.010 -10.314 1.00 0.00 H new ATOM 0 HA ASP A 32 2.147 10.106 -11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.101 7.852 -11.781 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.186 7.815 -10.031 1.00 0.00 H new ATOM 484 N LEU A 33 2.366 9.816 -8.480 1.00 0.00 N ATOM 485 CA LEU A 33 2.370 10.565 -7.199 1.00 0.00 C ATOM 486 C LEU A 33 3.674 11.377 -7.009 1.00 0.00 C ATOM 487 O LEU A 33 3.699 12.324 -6.215 1.00 0.00 O ATOM 488 CB LEU A 33 2.163 9.590 -6.004 1.00 0.00 C ATOM 489 CG LEU A 33 0.848 8.734 -6.018 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.770 7.790 -4.795 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.408 9.630 -6.106 1.00 0.00 C ATOM 0 H LEU A 33 2.470 8.808 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 33 1.543 11.275 -7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.013 8.909 -5.968 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.182 10.171 -5.082 1.00 0.00 H new ATOM 0 HG LEU A 33 0.878 8.113 -6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.154 7.213 -4.839 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.622 7.111 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.786 8.380 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.301 9.005 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.440 10.298 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.370 10.220 -7.022 1.00 0.00 H new ATOM 503 N GLY A 34 4.736 10.991 -7.746 1.00 0.00 N ATOM 504 CA GLY A 34 6.024 11.701 -7.711 1.00 0.00 C ATOM 505 C GLY A 34 6.753 11.626 -6.370 1.00 0.00 C ATOM 506 O GLY A 34 7.392 12.594 -5.943 1.00 0.00 O ATOM 0 H GLY A 34 4.723 10.187 -8.374 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.672 11.291 -8.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.854 12.749 -7.960 1.00 0.00 H new ATOM 510 N ILE A 35 6.648 10.467 -5.702 1.00 0.00 N ATOM 511 CA ILE A 35 7.295 10.214 -4.407 1.00 0.00 C ATOM 512 C ILE A 35 8.743 9.763 -4.650 1.00 0.00 C ATOM 513 O ILE A 35 8.973 8.795 -5.394 1.00 0.00 O ATOM 514 CB ILE A 35 6.526 9.105 -3.599 1.00 0.00 C ATOM 515 CG1 ILE A 35 5.011 9.477 -3.426 1.00 0.00 C ATOM 516 CG2 ILE A 35 7.201 8.857 -2.223 1.00 0.00 C ATOM 517 CD1 ILE A 35 4.131 8.338 -2.921 1.00 0.00 C ATOM 0 H ILE A 35 6.108 9.674 -6.048 1.00 0.00 H new ATOM 0 HA ILE A 35 7.280 11.134 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 35 6.575 8.178 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.933 10.314 -2.732 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.623 9.821 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.652 8.086 -1.682 1.00 0.00 H new ATOM 0 HG22 ILE A 35 8.230 8.530 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.196 9.780 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.102 8.686 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.173 7.506 -3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.488 8.007 -1.946 1.00 0.00 H new ATOM 529 N ASP A 36 9.710 10.486 -4.052 1.00 0.00 N ATOM 530 CA ASP A 36 11.142 10.114 -4.087 1.00 0.00 C ATOM 531 C ASP A 36 11.350 8.735 -3.448 1.00 0.00 C ATOM 532 O ASP A 36 10.618 8.366 -2.530 1.00 0.00 O ATOM 533 CB ASP A 36 12.007 11.163 -3.336 1.00 0.00 C ATOM 534 CG ASP A 36 11.965 12.560 -3.974 1.00 0.00 C ATOM 535 OD1 ASP A 36 11.025 13.324 -3.680 1.00 0.00 O ATOM 536 OD2 ASP A 36 12.867 12.899 -4.773 1.00 0.00 O ATOM 0 H ASP A 36 9.523 11.343 -3.532 1.00 0.00 H new ATOM 0 HA ASP A 36 11.453 10.083 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.664 11.233 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.040 10.816 -3.306 1.00 0.00 H new ATOM 541 N SER A 37 12.364 7.994 -3.931 1.00 0.00 N ATOM 542 CA SER A 37 12.698 6.651 -3.420 1.00 0.00 C ATOM 543 C SER A 37 13.062 6.717 -1.922 1.00 0.00 C ATOM 544 O SER A 37 12.625 5.874 -1.128 1.00 0.00 O ATOM 545 CB SER A 37 13.861 6.053 -4.241 1.00 0.00 C ATOM 546 OG SER A 37 13.554 6.041 -5.629 1.00 0.00 O ATOM 0 H SER A 37 12.974 8.308 -4.685 1.00 0.00 H new ATOM 0 HA SER A 37 11.827 6.005 -3.526 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.767 6.634 -4.071 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.065 5.038 -3.902 1.00 0.00 H new ATOM 0 HG SER A 37 14.307 5.659 -6.127 1.00 0.00 H new ATOM 552 N LEU A 38 13.783 7.792 -1.542 1.00 0.00 N ATOM 553 CA LEU A 38 14.234 8.015 -0.153 1.00 0.00 C ATOM 554 C LEU A 38 13.049 8.384 0.766 1.00 0.00 C ATOM 555 O LEU A 38 13.060 8.065 1.960 1.00 0.00 O ATOM 556 CB LEU A 38 15.379 9.080 -0.114 1.00 0.00 C ATOM 557 CG LEU A 38 15.153 10.453 -0.872 1.00 0.00 C ATOM 558 CD1 LEU A 38 14.237 11.444 -0.114 1.00 0.00 C ATOM 559 CD2 LEU A 38 16.502 11.118 -1.215 1.00 0.00 C ATOM 0 H LEU A 38 14.068 8.528 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 38 14.647 7.084 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 38 15.586 9.308 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 38 16.277 8.618 -0.524 1.00 0.00 H new ATOM 0 HG LEU A 38 14.628 10.200 -1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.131 12.359 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.256 10.992 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.678 11.679 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.322 12.059 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 38 17.056 11.311 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 38 17.082 10.454 -1.856 1.00 0.00 H new ATOM 571 N ASP A 39 12.028 9.037 0.181 1.00 0.00 N ATOM 572 CA ASP A 39 10.800 9.440 0.899 1.00 0.00 C ATOM 573 C ASP A 39 9.872 8.229 1.067 1.00 0.00 C ATOM 574 O ASP A 39 9.208 8.071 2.098 1.00 0.00 O ATOM 575 CB ASP A 39 10.064 10.567 0.123 1.00 0.00 C ATOM 576 CG ASP A 39 8.839 11.112 0.885 1.00 0.00 C ATOM 577 OD1 ASP A 39 9.015 12.031 1.709 1.00 0.00 O ATOM 578 OD2 ASP A 39 7.706 10.625 0.674 1.00 0.00 O ATOM 0 H ASP A 39 12.029 9.301 -0.804 1.00 0.00 H new ATOM 0 HA ASP A 39 11.078 9.818 1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.760 11.384 -0.070 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.744 10.185 -0.846 1.00 0.00 H new ATOM 583 N PHE A 40 9.857 7.361 0.038 1.00 0.00 N ATOM 584 CA PHE A 40 9.004 6.171 -0.002 1.00 0.00 C ATOM 585 C PHE A 40 9.505 5.118 1.003 1.00 0.00 C ATOM 586 O PHE A 40 8.747 4.241 1.401 1.00 0.00 O ATOM 587 CB PHE A 40 8.941 5.593 -1.440 1.00 0.00 C ATOM 588 CG PHE A 40 7.806 4.583 -1.642 1.00 0.00 C ATOM 589 CD1 PHE A 40 6.485 5.022 -1.752 1.00 0.00 C ATOM 590 CD2 PHE A 40 8.047 3.208 -1.677 1.00 0.00 C ATOM 591 CE1 PHE A 40 5.446 4.124 -1.898 1.00 0.00 C ATOM 592 CE2 PHE A 40 7.003 2.310 -1.831 1.00 0.00 C ATOM 593 CZ PHE A 40 5.705 2.769 -1.937 1.00 0.00 C ATOM 0 H PHE A 40 10.442 7.471 -0.791 1.00 0.00 H new ATOM 0 HA PHE A 40 7.992 6.456 0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.818 6.413 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.891 5.112 -1.672 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.272 6.080 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.058 2.840 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.431 4.482 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.205 1.250 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.892 2.067 -2.050 1.00 0.00 H new ATOM 603 N LEU A 41 10.795 5.204 1.387 1.00 0.00 N ATOM 604 CA LEU A 41 11.358 4.396 2.491 1.00 0.00 C ATOM 605 C LEU A 41 10.630 4.697 3.823 1.00 0.00 C ATOM 606 O LEU A 41 10.392 3.784 4.620 1.00 0.00 O ATOM 607 CB LEU A 41 12.874 4.664 2.641 1.00 0.00 C ATOM 608 CG LEU A 41 13.769 4.248 1.433 1.00 0.00 C ATOM 609 CD1 LEU A 41 15.239 4.669 1.656 1.00 0.00 C ATOM 610 CD2 LEU A 41 13.656 2.731 1.145 1.00 0.00 C ATOM 0 H LEU A 41 11.471 5.828 0.947 1.00 0.00 H new ATOM 0 HA LEU A 41 11.209 3.344 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.017 5.729 2.823 1.00 0.00 H new ATOM 0 HB3 LEU A 41 13.229 4.138 3.528 1.00 0.00 H new ATOM 0 HG LEU A 41 13.403 4.777 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.839 4.366 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 41 15.294 5.751 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.623 4.187 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.291 2.473 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.976 2.169 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 41 12.621 2.481 0.912 1.00 0.00 H new ATOM 622 N ASP A 42 10.276 5.983 4.036 1.00 0.00 N ATOM 623 CA ASP A 42 9.529 6.431 5.239 1.00 0.00 C ATOM 624 C ASP A 42 8.071 5.978 5.160 1.00 0.00 C ATOM 625 O ASP A 42 7.499 5.568 6.168 1.00 0.00 O ATOM 626 CB ASP A 42 9.570 7.966 5.412 1.00 0.00 C ATOM 627 CG ASP A 42 10.994 8.500 5.557 1.00 0.00 C ATOM 628 OD1 ASP A 42 11.607 8.313 6.633 1.00 0.00 O ATOM 629 OD2 ASP A 42 11.516 9.099 4.599 1.00 0.00 O ATOM 0 H ASP A 42 10.497 6.737 3.386 1.00 0.00 H new ATOM 0 HA ASP A 42 10.017 5.976 6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.094 8.438 4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.989 8.245 6.291 1.00 0.00 H new ATOM 634 N ILE A 43 7.481 6.072 3.951 1.00 0.00 N ATOM 635 CA ILE A 43 6.100 5.607 3.694 1.00 0.00 C ATOM 636 C ILE A 43 5.985 4.098 3.958 1.00 0.00 C ATOM 637 O ILE A 43 5.073 3.651 4.656 1.00 0.00 O ATOM 638 CB ILE A 43 5.639 5.908 2.219 1.00 0.00 C ATOM 639 CG1 ILE A 43 5.668 7.444 1.940 1.00 0.00 C ATOM 640 CG2 ILE A 43 4.237 5.306 1.919 1.00 0.00 C ATOM 641 CD1 ILE A 43 5.160 7.856 0.576 1.00 0.00 C ATOM 0 H ILE A 43 7.942 6.468 3.132 1.00 0.00 H new ATOM 0 HA ILE A 43 5.449 6.156 4.375 1.00 0.00 H new ATOM 0 HB ILE A 43 6.344 5.424 1.544 1.00 0.00 H new ATOM 0 HG12 ILE A 43 5.071 7.947 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.692 7.799 2.052 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.955 5.535 0.891 1.00 0.00 H new ATOM 0 HG22 ILE A 43 4.269 4.225 2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.503 5.735 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.220 8.940 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.770 7.387 -0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.124 7.538 0.462 1.00 0.00 H new ATOM 653 N ALA A 44 6.961 3.346 3.431 1.00 0.00 N ATOM 654 CA ALA A 44 6.977 1.878 3.487 1.00 0.00 C ATOM 655 C ALA A 44 7.249 1.406 4.926 1.00 0.00 C ATOM 656 O ALA A 44 6.710 0.394 5.361 1.00 0.00 O ATOM 657 CB ALA A 44 8.030 1.328 2.509 1.00 0.00 C ATOM 0 H ALA A 44 7.768 3.743 2.950 1.00 0.00 H new ATOM 0 HA ALA A 44 6.002 1.494 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.036 0.239 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.786 1.646 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.014 1.709 2.782 1.00 0.00 H new ATOM 663 N PHE A 45 8.092 2.169 5.644 1.00 0.00 N ATOM 664 CA PHE A 45 8.354 1.963 7.083 1.00 0.00 C ATOM 665 C PHE A 45 7.085 2.226 7.913 1.00 0.00 C ATOM 666 O PHE A 45 6.816 1.517 8.874 1.00 0.00 O ATOM 667 CB PHE A 45 9.505 2.888 7.552 1.00 0.00 C ATOM 668 CG PHE A 45 9.960 2.662 8.997 1.00 0.00 C ATOM 669 CD1 PHE A 45 10.520 1.445 9.384 1.00 0.00 C ATOM 670 CD2 PHE A 45 9.849 3.668 9.957 1.00 0.00 C ATOM 671 CE1 PHE A 45 10.938 1.240 10.685 1.00 0.00 C ATOM 672 CE2 PHE A 45 10.265 3.459 11.257 1.00 0.00 C ATOM 673 CZ PHE A 45 10.816 2.249 11.618 1.00 0.00 C ATOM 0 H PHE A 45 8.613 2.949 5.243 1.00 0.00 H new ATOM 0 HA PHE A 45 8.650 0.925 7.234 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.359 2.746 6.890 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.187 3.925 7.444 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.628 0.653 8.658 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.431 4.625 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.361 0.289 10.972 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.158 4.244 11.991 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.153 2.090 12.632 1.00 0.00 H new ATOM 683 N ALA A 46 6.312 3.250 7.513 1.00 0.00 N ATOM 684 CA ALA A 46 5.041 3.616 8.174 1.00 0.00 C ATOM 685 C ALA A 46 3.945 2.562 7.892 1.00 0.00 C ATOM 686 O ALA A 46 3.028 2.381 8.692 1.00 0.00 O ATOM 687 CB ALA A 46 4.593 5.012 7.721 1.00 0.00 C ATOM 0 H ALA A 46 6.548 3.849 6.722 1.00 0.00 H new ATOM 0 HA ALA A 46 5.205 3.639 9.251 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.656 5.271 8.214 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.357 5.743 7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.447 5.015 6.641 1.00 0.00 H new ATOM 693 N ILE A 47 4.061 1.886 6.732 1.00 0.00 N ATOM 694 CA ILE A 47 3.229 0.723 6.369 1.00 0.00 C ATOM 695 C ILE A 47 3.593 -0.476 7.271 1.00 0.00 C ATOM 696 O ILE A 47 2.715 -1.207 7.739 1.00 0.00 O ATOM 697 CB ILE A 47 3.420 0.350 4.848 1.00 0.00 C ATOM 698 CG1 ILE A 47 2.889 1.493 3.919 1.00 0.00 C ATOM 699 CG2 ILE A 47 2.753 -0.997 4.499 1.00 0.00 C ATOM 700 CD1 ILE A 47 3.216 1.327 2.441 1.00 0.00 C ATOM 0 H ILE A 47 4.742 2.135 6.014 1.00 0.00 H new ATOM 0 HA ILE A 47 2.180 0.979 6.521 1.00 0.00 H new ATOM 0 HB ILE A 47 4.490 0.238 4.675 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.807 1.558 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.302 2.441 4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.908 -1.217 3.443 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.195 -1.789 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.684 -0.938 4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.806 2.168 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.298 1.296 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.779 0.399 2.074 1.00 0.00 H new ATOM 712 N ASP A 48 4.901 -0.651 7.507 1.00 0.00 N ATOM 713 CA ASP A 48 5.439 -1.697 8.399 1.00 0.00 C ATOM 714 C ASP A 48 4.951 -1.500 9.837 1.00 0.00 C ATOM 715 O ASP A 48 4.627 -2.466 10.527 1.00 0.00 O ATOM 716 CB ASP A 48 6.993 -1.708 8.357 1.00 0.00 C ATOM 717 CG ASP A 48 7.595 -2.102 6.997 1.00 0.00 C ATOM 718 OD1 ASP A 48 6.849 -2.514 6.085 1.00 0.00 O ATOM 719 OD2 ASP A 48 8.834 -2.007 6.840 1.00 0.00 O ATOM 0 H ASP A 48 5.623 -0.069 7.083 1.00 0.00 H new ATOM 0 HA ASP A 48 5.072 -2.659 8.042 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.358 -0.717 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.359 -2.400 9.116 1.00 0.00 H new ATOM 724 N LYS A 49 4.900 -0.233 10.263 1.00 0.00 N ATOM 725 CA LYS A 49 4.423 0.160 11.597 1.00 0.00 C ATOM 726 C LYS A 49 2.909 -0.103 11.746 1.00 0.00 C ATOM 727 O LYS A 49 2.480 -0.768 12.693 1.00 0.00 O ATOM 728 CB LYS A 49 4.745 1.658 11.846 1.00 0.00 C ATOM 729 CG LYS A 49 6.252 1.992 11.906 1.00 0.00 C ATOM 730 CD LYS A 49 6.538 3.515 11.941 1.00 0.00 C ATOM 731 CE LYS A 49 5.929 4.207 13.169 1.00 0.00 C ATOM 732 NZ LYS A 49 6.475 3.677 14.446 1.00 0.00 N ATOM 0 H LYS A 49 5.191 0.557 9.687 1.00 0.00 H new ATOM 0 HA LYS A 49 4.938 -0.445 12.343 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.286 2.251 11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.281 1.965 12.783 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.686 1.527 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.749 1.555 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.616 3.678 11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.141 3.975 11.036 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.121 5.278 13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.847 4.076 13.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.085 4.220 15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.211 2.676 14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.511 3.763 14.443 1.00 0.00 H new ATOM 746 N ALA A 50 2.123 0.413 10.787 1.00 0.00 N ATOM 747 CA ALA A 50 0.649 0.324 10.813 1.00 0.00 C ATOM 748 C ALA A 50 0.139 -1.134 10.702 1.00 0.00 C ATOM 749 O ALA A 50 -0.712 -1.554 11.485 1.00 0.00 O ATOM 750 CB ALA A 50 0.042 1.188 9.695 1.00 0.00 C ATOM 0 H ALA A 50 2.489 0.904 9.971 1.00 0.00 H new ATOM 0 HA ALA A 50 0.324 0.703 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.045 1.113 9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.338 2.227 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.402 0.837 8.728 1.00 0.00 H new ATOM 756 N PHE A 51 0.677 -1.891 9.731 1.00 0.00 N ATOM 757 CA PHE A 51 0.230 -3.276 9.426 1.00 0.00 C ATOM 758 C PHE A 51 1.006 -4.331 10.228 1.00 0.00 C ATOM 759 O PHE A 51 0.611 -5.504 10.234 1.00 0.00 O ATOM 760 CB PHE A 51 0.356 -3.564 7.909 1.00 0.00 C ATOM 761 CG PHE A 51 -0.638 -2.788 7.046 1.00 0.00 C ATOM 762 CD1 PHE A 51 -0.328 -1.525 6.544 1.00 0.00 C ATOM 763 CD2 PHE A 51 -1.890 -3.329 6.744 1.00 0.00 C ATOM 764 CE1 PHE A 51 -1.229 -0.836 5.757 1.00 0.00 C ATOM 765 CE2 PHE A 51 -2.786 -2.640 5.954 1.00 0.00 C ATOM 766 CZ PHE A 51 -2.456 -1.397 5.463 1.00 0.00 C ATOM 0 H PHE A 51 1.435 -1.567 9.131 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.816 -3.345 9.723 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.369 -3.322 7.586 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.214 -4.631 7.739 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.629 -1.080 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.160 -4.299 7.134 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.975 0.140 5.372 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.746 -3.075 5.721 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.160 -0.858 4.845 1.00 0.00 H new ATOM 776 N GLY A 52 2.103 -3.914 10.894 1.00 0.00 N ATOM 777 CA GLY A 52 2.934 -4.832 11.693 1.00 0.00 C ATOM 778 C GLY A 52 3.776 -5.778 10.836 1.00 0.00 C ATOM 779 O GLY A 52 4.157 -6.856 11.290 1.00 0.00 O ATOM 0 H GLY A 52 2.432 -2.948 10.893 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.594 -4.249 12.336 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.290 -5.420 12.347 1.00 0.00 H new ATOM 783 N ILE A 53 4.071 -5.350 9.598 1.00 0.00 N ATOM 784 CA ILE A 53 4.763 -6.169 8.579 1.00 0.00 C ATOM 785 C ILE A 53 6.192 -5.654 8.374 1.00 0.00 C ATOM 786 O ILE A 53 6.661 -4.787 9.119 1.00 0.00 O ATOM 787 CB ILE A 53 4.005 -6.151 7.192 1.00 0.00 C ATOM 788 CG1 ILE A 53 3.851 -4.699 6.630 1.00 0.00 C ATOM 789 CG2 ILE A 53 2.637 -6.852 7.290 1.00 0.00 C ATOM 790 CD1 ILE A 53 3.321 -4.641 5.218 1.00 0.00 C ATOM 0 H ILE A 53 3.834 -4.414 9.268 1.00 0.00 H new ATOM 0 HA ILE A 53 4.780 -7.195 8.946 1.00 0.00 H new ATOM 0 HB ILE A 53 4.620 -6.710 6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.182 -4.137 7.282 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.821 -4.202 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.142 -6.822 6.319 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.781 -7.889 7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.019 -6.342 8.028 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.243 -3.601 4.901 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.000 -5.173 4.552 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.336 -5.107 5.180 1.00 0.00 H new ATOM 802 N LYS A 54 6.894 -6.263 7.411 1.00 0.00 N ATOM 803 CA LYS A 54 8.162 -5.762 6.893 1.00 0.00 C ATOM 804 C LYS A 54 8.114 -5.956 5.365 1.00 0.00 C ATOM 805 O LYS A 54 8.174 -7.093 4.887 1.00 0.00 O ATOM 806 CB LYS A 54 9.362 -6.510 7.573 1.00 0.00 C ATOM 807 CG LYS A 54 10.736 -5.783 7.514 1.00 0.00 C ATOM 808 CD LYS A 54 11.316 -5.681 6.087 1.00 0.00 C ATOM 809 CE LYS A 54 12.642 -4.910 6.007 1.00 0.00 C ATOM 810 NZ LYS A 54 13.042 -4.704 4.600 1.00 0.00 N ATOM 0 H LYS A 54 6.589 -7.129 6.967 1.00 0.00 H new ATOM 0 HA LYS A 54 8.313 -4.707 7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.110 -6.685 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.469 -7.487 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.626 -4.780 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.446 -6.312 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.468 -6.686 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.585 -5.194 5.442 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.539 -3.946 6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.421 -5.460 6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.853 -4.055 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.308 -5.616 4.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.246 -4.296 4.069 1.00 0.00 H new ATOM 824 N LEU A 55 7.974 -4.847 4.616 1.00 0.00 N ATOM 825 CA LEU A 55 8.014 -4.861 3.146 1.00 0.00 C ATOM 826 C LEU A 55 9.441 -5.169 2.669 1.00 0.00 C ATOM 827 O LEU A 55 10.394 -4.543 3.164 1.00 0.00 O ATOM 828 CB LEU A 55 7.555 -3.503 2.541 1.00 0.00 C ATOM 829 CG LEU A 55 6.065 -3.116 2.769 1.00 0.00 C ATOM 830 CD1 LEU A 55 5.745 -1.720 2.191 1.00 0.00 C ATOM 831 CD2 LEU A 55 5.129 -4.186 2.167 1.00 0.00 C ATOM 0 H LEU A 55 7.830 -3.919 5.014 1.00 0.00 H new ATOM 0 HA LEU A 55 7.325 -5.634 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.181 -2.714 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.742 -3.526 1.467 1.00 0.00 H new ATOM 0 HG LEU A 55 5.895 -3.071 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.696 -1.484 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.372 -0.973 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.941 -1.717 1.119 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.091 -3.898 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.313 -4.269 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.321 -5.147 2.644 1.00 0.00 H new ATOM 843 N PRO A 56 9.618 -6.148 1.728 1.00 0.00 N ATOM 844 CA PRO A 56 10.893 -6.366 1.012 1.00 0.00 C ATOM 845 C PRO A 56 11.134 -5.245 -0.011 1.00 0.00 C ATOM 846 O PRO A 56 11.278 -5.510 -1.192 1.00 0.00 O ATOM 847 CB PRO A 56 10.703 -7.767 0.336 1.00 0.00 C ATOM 848 CG PRO A 56 9.470 -8.335 0.969 1.00 0.00 C ATOM 849 CD PRO A 56 8.612 -7.155 1.320 1.00 0.00 C ATOM 0 HA PRO A 56 11.769 -6.348 1.661 1.00 0.00 H new ATOM 0 HB2 PRO A 56 10.585 -7.672 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.567 -8.409 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.952 -9.006 0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.718 -8.916 1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.018 -6.816 0.471 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.915 -7.384 2.126 1.00 0.00 H new ATOM 857 N LEU A 57 11.206 -3.992 0.475 1.00 0.00 N ATOM 858 CA LEU A 57 11.261 -2.787 -0.371 1.00 0.00 C ATOM 859 C LEU A 57 12.580 -2.758 -1.151 1.00 0.00 C ATOM 860 O LEU A 57 12.586 -2.508 -2.350 1.00 0.00 O ATOM 861 CB LEU A 57 11.101 -1.514 0.526 1.00 0.00 C ATOM 862 CG LEU A 57 10.549 -0.198 -0.143 1.00 0.00 C ATOM 863 CD1 LEU A 57 11.559 0.472 -1.095 1.00 0.00 C ATOM 864 CD2 LEU A 57 9.203 -0.472 -0.853 1.00 0.00 C ATOM 0 H LEU A 57 11.228 -3.787 1.474 1.00 0.00 H new ATOM 0 HA LEU A 57 10.445 -2.803 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.439 -1.770 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.076 -1.285 0.957 1.00 0.00 H new ATOM 0 HG LEU A 57 10.382 0.516 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.116 1.372 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.459 0.738 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.817 -0.220 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 57 8.838 0.448 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.346 -1.227 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.474 -0.831 -0.126 1.00 0.00 H new ATOM 876 N GLU A 58 13.680 -3.043 -0.443 1.00 0.00 N ATOM 877 CA GLU A 58 15.030 -3.098 -1.027 1.00 0.00 C ATOM 878 C GLU A 58 15.145 -4.255 -2.041 1.00 0.00 C ATOM 879 O GLU A 58 15.777 -4.109 -3.093 1.00 0.00 O ATOM 880 CB GLU A 58 16.121 -3.242 0.078 1.00 0.00 C ATOM 881 CG GLU A 58 16.053 -4.533 0.943 1.00 0.00 C ATOM 882 CD GLU A 58 15.001 -4.503 2.058 1.00 0.00 C ATOM 883 OE1 GLU A 58 15.295 -3.963 3.146 1.00 0.00 O ATOM 884 OE2 GLU A 58 13.879 -5.015 1.856 1.00 0.00 O ATOM 0 H GLU A 58 13.660 -3.243 0.557 1.00 0.00 H new ATOM 0 HA GLU A 58 15.197 -2.157 -1.551 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.100 -3.200 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.053 -2.380 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.846 -5.381 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.032 -4.706 1.390 1.00 0.00 H new ATOM 891 N LYS A 59 14.522 -5.402 -1.697 1.00 0.00 N ATOM 892 CA LYS A 59 14.435 -6.590 -2.564 1.00 0.00 C ATOM 893 C LYS A 59 13.720 -6.246 -3.884 1.00 0.00 C ATOM 894 O LYS A 59 14.194 -6.588 -4.972 1.00 0.00 O ATOM 895 CB LYS A 59 13.668 -7.700 -1.795 1.00 0.00 C ATOM 896 CG LYS A 59 13.425 -9.012 -2.564 1.00 0.00 C ATOM 897 CD LYS A 59 14.726 -9.788 -2.860 1.00 0.00 C ATOM 898 CE LYS A 59 14.465 -11.078 -3.651 1.00 0.00 C ATOM 899 NZ LYS A 59 13.781 -10.799 -4.942 1.00 0.00 N ATOM 0 H LYS A 59 14.060 -5.528 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 59 15.436 -6.941 -2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.222 -7.933 -0.886 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.702 -7.299 -1.486 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.754 -9.647 -1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.921 -8.788 -3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.407 -9.150 -3.423 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.222 -10.034 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.410 -11.586 -3.842 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.854 -11.755 -3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.787 -11.657 -5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.799 -10.511 -4.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.279 -10.034 -5.441 1.00 0.00 H new ATOM 913 N TRP A 60 12.599 -5.515 -3.748 1.00 0.00 N ATOM 914 CA TRP A 60 11.760 -5.072 -4.871 1.00 0.00 C ATOM 915 C TRP A 60 12.520 -4.081 -5.752 1.00 0.00 C ATOM 916 O TRP A 60 12.514 -4.210 -6.965 1.00 0.00 O ATOM 917 CB TRP A 60 10.460 -4.413 -4.347 1.00 0.00 C ATOM 918 CG TRP A 60 9.506 -5.361 -3.665 1.00 0.00 C ATOM 919 CD1 TRP A 60 9.499 -6.731 -3.718 1.00 0.00 C ATOM 920 CD2 TRP A 60 8.399 -4.992 -2.840 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.453 -7.222 -2.986 1.00 0.00 N ATOM 922 CE2 TRP A 60 7.765 -6.178 -2.437 1.00 0.00 C ATOM 923 CE3 TRP A 60 7.886 -3.770 -2.403 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.647 -6.182 -1.622 1.00 0.00 C ATOM 925 CZ3 TRP A 60 6.768 -3.773 -1.595 1.00 0.00 C ATOM 926 CH2 TRP A 60 6.161 -4.974 -1.209 1.00 0.00 C ATOM 0 H TRP A 60 12.247 -5.212 -2.840 1.00 0.00 H new ATOM 0 HA TRP A 60 11.501 -5.947 -5.467 1.00 0.00 H new ATOM 0 HB2 TRP A 60 10.726 -3.621 -3.647 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.945 -3.940 -5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 60 10.214 -7.334 -4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.224 -8.209 -2.869 1.00 0.00 H new ATOM 0 HE3 TRP A 60 8.355 -2.841 -2.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 6.176 -7.107 -1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 6.355 -2.835 -1.255 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.290 -4.945 -0.571 1.00 0.00 H new ATOM 937 N THR A 61 13.193 -3.118 -5.102 1.00 0.00 N ATOM 938 CA THR A 61 13.970 -2.064 -5.774 1.00 0.00 C ATOM 939 C THR A 61 15.157 -2.684 -6.543 1.00 0.00 C ATOM 940 O THR A 61 15.525 -2.201 -7.616 1.00 0.00 O ATOM 941 CB THR A 61 14.461 -0.986 -4.741 1.00 0.00 C ATOM 942 OG1 THR A 61 13.325 -0.419 -4.061 1.00 0.00 O ATOM 943 CG2 THR A 61 15.271 0.152 -5.391 1.00 0.00 C ATOM 0 H THR A 61 13.213 -3.049 -4.085 1.00 0.00 H new ATOM 0 HA THR A 61 13.324 -1.560 -6.493 1.00 0.00 H new ATOM 0 HB THR A 61 15.123 -1.499 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.949 -1.081 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 61 15.580 0.862 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 61 16.153 -0.262 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.653 0.662 -6.130 1.00 0.00 H new ATOM 951 N GLN A 62 15.696 -3.803 -6.020 1.00 0.00 N ATOM 952 CA GLN A 62 16.791 -4.534 -6.675 1.00 0.00 C ATOM 953 C GLN A 62 16.266 -5.209 -7.957 1.00 0.00 C ATOM 954 O GLN A 62 16.905 -5.129 -9.005 1.00 0.00 O ATOM 955 CB GLN A 62 17.414 -5.585 -5.724 1.00 0.00 C ATOM 956 CG GLN A 62 18.636 -6.331 -6.317 1.00 0.00 C ATOM 957 CD GLN A 62 19.288 -7.324 -5.348 1.00 0.00 C ATOM 958 OE1 GLN A 62 19.273 -7.135 -4.135 1.00 0.00 O ATOM 959 NE2 GLN A 62 19.845 -8.398 -5.878 1.00 0.00 N ATOM 0 H GLN A 62 15.387 -4.219 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 62 17.575 -3.823 -6.936 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.717 -5.090 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 62 16.650 -6.316 -5.457 1.00 0.00 H new ATOM 0 HG2 GLN A 62 18.323 -6.866 -7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.381 -5.598 -6.627 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.842 -8.528 -6.890 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.278 -9.098 -5.276 1.00 0.00 H new ATOM 968 N GLU A 63 15.075 -5.845 -7.845 1.00 0.00 N ATOM 969 CA GLU A 63 14.377 -6.492 -8.981 1.00 0.00 C ATOM 970 C GLU A 63 14.046 -5.474 -10.087 1.00 0.00 C ATOM 971 O GLU A 63 14.254 -5.748 -11.266 1.00 0.00 O ATOM 972 CB GLU A 63 13.086 -7.201 -8.486 1.00 0.00 C ATOM 973 CG GLU A 63 13.343 -8.377 -7.529 1.00 0.00 C ATOM 974 CD GLU A 63 12.046 -9.011 -7.008 1.00 0.00 C ATOM 975 OE1 GLU A 63 11.386 -9.731 -7.784 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.674 -8.791 -5.831 1.00 0.00 O ATOM 0 H GLU A 63 14.571 -5.924 -6.962 1.00 0.00 H new ATOM 0 HA GLU A 63 15.046 -7.239 -9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.453 -6.470 -7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.530 -7.565 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.933 -9.136 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.938 -8.029 -6.684 1.00 0.00 H new ATOM 983 N VAL A 64 13.573 -4.288 -9.681 1.00 0.00 N ATOM 984 CA VAL A 64 13.222 -3.194 -10.608 1.00 0.00 C ATOM 985 C VAL A 64 14.470 -2.717 -11.391 1.00 0.00 C ATOM 986 O VAL A 64 14.479 -2.711 -12.627 1.00 0.00 O ATOM 987 CB VAL A 64 12.551 -1.989 -9.844 1.00 0.00 C ATOM 988 CG1 VAL A 64 12.347 -0.767 -10.774 1.00 0.00 C ATOM 989 CG2 VAL A 64 11.205 -2.420 -9.204 1.00 0.00 C ATOM 0 H VAL A 64 13.421 -4.056 -8.699 1.00 0.00 H new ATOM 0 HA VAL A 64 12.496 -3.583 -11.321 1.00 0.00 H new ATOM 0 HB VAL A 64 13.231 -1.689 -9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.882 0.044 -10.213 1.00 0.00 H new ATOM 0 HG12 VAL A 64 13.312 -0.436 -11.157 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.703 -1.047 -11.607 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.762 -1.571 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.525 -2.763 -9.984 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.382 -3.229 -8.495 1.00 0.00 H new ATOM 999 N ASN A 65 15.532 -2.365 -10.639 1.00 0.00 N ATOM 1000 CA ASN A 65 16.814 -1.877 -11.199 1.00 0.00 C ATOM 1001 C ASN A 65 17.565 -2.961 -12.009 1.00 0.00 C ATOM 1002 O ASN A 65 18.400 -2.619 -12.857 1.00 0.00 O ATOM 1003 CB ASN A 65 17.719 -1.291 -10.069 1.00 0.00 C ATOM 1004 CG ASN A 65 17.342 0.154 -9.685 1.00 0.00 C ATOM 1005 OD1 ASN A 65 17.895 1.111 -10.221 1.00 0.00 O ATOM 1006 ND2 ASN A 65 16.381 0.330 -8.784 1.00 0.00 N ATOM 0 H ASN A 65 15.527 -2.411 -9.620 1.00 0.00 H new ATOM 0 HA ASN A 65 16.571 -1.080 -11.902 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.646 -1.927 -9.186 1.00 0.00 H new ATOM 0 HB3 ASN A 65 18.759 -1.315 -10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 65 16.090 1.273 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 65 15.934 -0.478 -8.350 1.00 0.00 H new ATOM 1013 N ASP A 66 17.279 -4.257 -11.750 1.00 0.00 N ATOM 1014 CA ASP A 66 17.930 -5.399 -12.454 1.00 0.00 C ATOM 1015 C ASP A 66 17.042 -5.962 -13.596 1.00 0.00 C ATOM 1016 O ASP A 66 17.401 -6.951 -14.251 1.00 0.00 O ATOM 1017 CB ASP A 66 18.268 -6.507 -11.413 1.00 0.00 C ATOM 1018 CG ASP A 66 19.212 -7.596 -11.948 1.00 0.00 C ATOM 1019 OD1 ASP A 66 20.421 -7.316 -12.087 1.00 0.00 O ATOM 1020 OD2 ASP A 66 18.758 -8.720 -12.245 1.00 0.00 O ATOM 0 H ASP A 66 16.594 -4.546 -11.051 1.00 0.00 H new ATOM 0 HA ASP A 66 18.847 -5.042 -12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.723 -6.043 -10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.341 -6.974 -11.080 1.00 0.00 H new ATOM 1025 N GLY A 67 15.895 -5.303 -13.851 1.00 0.00 N ATOM 1026 CA GLY A 67 14.948 -5.724 -14.896 1.00 0.00 C ATOM 1027 C GLY A 67 14.237 -7.052 -14.633 1.00 0.00 C ATOM 1028 O GLY A 67 13.649 -7.639 -15.550 1.00 0.00 O ATOM 0 H GLY A 67 15.602 -4.470 -13.341 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.195 -4.945 -15.017 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.485 -5.799 -15.842 1.00 0.00 H new ATOM 1032 N LYS A 68 14.293 -7.528 -13.381 1.00 0.00 N ATOM 1033 CA LYS A 68 13.569 -8.736 -12.936 1.00 0.00 C ATOM 1034 C LYS A 68 12.090 -8.416 -12.683 1.00 0.00 C ATOM 1035 O LYS A 68 11.239 -9.305 -12.704 1.00 0.00 O ATOM 1036 CB LYS A 68 14.215 -9.313 -11.653 1.00 0.00 C ATOM 1037 CG LYS A 68 15.685 -9.787 -11.780 1.00 0.00 C ATOM 1038 CD LYS A 68 15.899 -11.039 -12.697 1.00 0.00 C ATOM 1039 CE LYS A 68 16.032 -10.711 -14.204 1.00 0.00 C ATOM 1040 NZ LYS A 68 17.172 -9.792 -14.486 1.00 0.00 N ATOM 0 H LYS A 68 14.842 -7.087 -12.643 1.00 0.00 H new ATOM 0 HA LYS A 68 13.634 -9.483 -13.727 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.166 -8.553 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.612 -10.155 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.284 -8.964 -12.169 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.065 -10.015 -10.784 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.797 -11.564 -12.371 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.062 -11.723 -12.559 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.167 -11.636 -14.764 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.106 -10.257 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.713 -10.150 -15.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.807 -8.843 -14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.792 -9.742 -13.652 1.00 0.00 H new ATOM 1054 N ALA A 69 11.814 -7.140 -12.412 1.00 0.00 N ATOM 1055 CA ALA A 69 10.462 -6.614 -12.269 1.00 0.00 C ATOM 1056 C ALA A 69 10.424 -5.176 -12.783 1.00 0.00 C ATOM 1057 O ALA A 69 11.476 -4.550 -12.968 1.00 0.00 O ATOM 1058 CB ALA A 69 10.028 -6.689 -10.803 1.00 0.00 C ATOM 0 H ALA A 69 12.538 -6.433 -12.284 1.00 0.00 H new ATOM 0 HA ALA A 69 9.766 -7.212 -12.857 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.017 -6.295 -10.702 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.047 -7.727 -10.470 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.710 -6.099 -10.191 1.00 0.00 H new ATOM 1064 N THR A 70 9.217 -4.682 -13.043 1.00 0.00 N ATOM 1065 CA THR A 70 8.977 -3.279 -13.386 1.00 0.00 C ATOM 1066 C THR A 70 8.677 -2.470 -12.119 1.00 0.00 C ATOM 1067 O THR A 70 8.393 -3.048 -11.051 1.00 0.00 O ATOM 1068 CB THR A 70 7.787 -3.159 -14.399 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.633 -3.839 -13.870 1.00 0.00 O ATOM 1070 CG2 THR A 70 8.138 -3.750 -15.777 1.00 0.00 C ATOM 0 H THR A 70 8.368 -5.248 -13.022 1.00 0.00 H new ATOM 0 HA THR A 70 9.875 -2.877 -13.856 1.00 0.00 H new ATOM 0 HB THR A 70 7.576 -2.098 -14.534 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.889 -3.762 -14.503 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.284 -3.645 -16.446 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.993 -3.218 -16.194 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.385 -4.806 -15.668 1.00 0.00 H new ATOM 1078 N THR A 71 8.747 -1.136 -12.255 1.00 0.00 N ATOM 1079 CA THR A 71 8.396 -0.196 -11.186 1.00 0.00 C ATOM 1080 C THR A 71 6.940 -0.431 -10.738 1.00 0.00 C ATOM 1081 O THR A 71 6.690 -0.727 -9.576 1.00 0.00 O ATOM 1082 CB THR A 71 8.563 1.288 -11.657 1.00 0.00 C ATOM 1083 OG1 THR A 71 7.838 1.493 -12.884 1.00 0.00 O ATOM 1084 CG2 THR A 71 10.028 1.690 -11.853 1.00 0.00 C ATOM 0 H THR A 71 9.051 -0.680 -13.115 1.00 0.00 H new ATOM 0 HA THR A 71 9.073 -0.370 -10.350 1.00 0.00 H new ATOM 0 HB THR A 71 8.160 1.920 -10.866 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.943 2.423 -13.175 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.080 2.729 -12.180 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.565 1.579 -10.911 1.00 0.00 H new ATOM 0 HG23 THR A 71 10.483 1.049 -12.608 1.00 0.00 H new ATOM 1092 N GLU A 72 6.016 -0.376 -11.724 1.00 0.00 N ATOM 1093 CA GLU A 72 4.554 -0.478 -11.520 1.00 0.00 C ATOM 1094 C GLU A 72 4.122 -1.721 -10.712 1.00 0.00 C ATOM 1095 O GLU A 72 3.189 -1.640 -9.900 1.00 0.00 O ATOM 1096 CB GLU A 72 3.844 -0.428 -12.904 1.00 0.00 C ATOM 1097 CG GLU A 72 4.191 -1.593 -13.855 1.00 0.00 C ATOM 1098 CD GLU A 72 3.581 -1.449 -15.256 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.347 -1.589 -15.398 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.323 -1.183 -16.222 1.00 0.00 O ATOM 0 H GLU A 72 6.272 -0.257 -12.704 1.00 0.00 H new ATOM 0 HA GLU A 72 4.249 0.373 -10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.766 -0.419 -12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.101 0.511 -13.394 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.275 -1.665 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.845 -2.527 -13.412 1.00 0.00 H new ATOM 1107 N GLN A 73 4.840 -2.838 -10.922 1.00 0.00 N ATOM 1108 CA GLN A 73 4.561 -4.128 -10.269 1.00 0.00 C ATOM 1109 C GLN A 73 4.528 -4.025 -8.722 1.00 0.00 C ATOM 1110 O GLN A 73 3.764 -4.740 -8.067 1.00 0.00 O ATOM 1111 CB GLN A 73 5.606 -5.188 -10.719 1.00 0.00 C ATOM 1112 CG GLN A 73 5.359 -6.606 -10.168 1.00 0.00 C ATOM 1113 CD GLN A 73 6.376 -7.649 -10.621 1.00 0.00 C ATOM 1114 OE1 GLN A 73 6.947 -7.560 -11.702 1.00 0.00 O ATOM 1115 NE2 GLN A 73 6.597 -8.657 -9.793 1.00 0.00 N ATOM 0 H GLN A 73 5.638 -2.870 -11.556 1.00 0.00 H new ATOM 0 HA GLN A 73 3.564 -4.437 -10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.614 -5.232 -11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.597 -4.858 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.362 -6.564 -9.079 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.364 -6.932 -10.472 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.105 -8.701 -8.901 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.259 -9.390 -10.047 1.00 0.00 H new ATOM 1124 N TYR A 74 5.357 -3.145 -8.147 1.00 0.00 N ATOM 1125 CA TYR A 74 5.424 -2.941 -6.681 1.00 0.00 C ATOM 1126 C TYR A 74 5.028 -1.517 -6.279 1.00 0.00 C ATOM 1127 O TYR A 74 4.595 -1.289 -5.145 1.00 0.00 O ATOM 1128 CB TYR A 74 6.856 -3.239 -6.179 1.00 0.00 C ATOM 1129 CG TYR A 74 7.362 -4.635 -6.558 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.680 -5.784 -6.142 1.00 0.00 C ATOM 1131 CD2 TYR A 74 8.510 -4.803 -7.332 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.130 -7.038 -6.481 1.00 0.00 C ATOM 1133 CE2 TYR A 74 8.960 -6.058 -7.663 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.266 -7.168 -7.243 1.00 0.00 C ATOM 1135 OH TYR A 74 8.715 -8.417 -7.579 1.00 0.00 O ATOM 0 H TYR A 74 6.000 -2.554 -8.675 1.00 0.00 H new ATOM 0 HA TYR A 74 4.712 -3.626 -6.221 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.537 -2.492 -6.586 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.881 -3.135 -5.094 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.786 -5.684 -5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.052 -3.935 -7.676 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.594 -7.915 -6.150 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.858 -6.173 -8.252 1.00 0.00 H new ATOM 0 HH TYR A 74 9.639 -8.357 -7.899 1.00 0.00 H new ATOM 1145 N PHE A 75 5.174 -0.558 -7.207 1.00 0.00 N ATOM 1146 CA PHE A 75 5.051 0.879 -6.915 1.00 0.00 C ATOM 1147 C PHE A 75 3.793 1.460 -7.587 1.00 0.00 C ATOM 1148 O PHE A 75 3.755 2.634 -7.912 1.00 0.00 O ATOM 1149 CB PHE A 75 6.345 1.625 -7.376 1.00 0.00 C ATOM 1150 CG PHE A 75 7.627 1.188 -6.648 1.00 0.00 C ATOM 1151 CD1 PHE A 75 7.911 1.652 -5.363 1.00 0.00 C ATOM 1152 CD2 PHE A 75 8.547 0.316 -7.242 1.00 0.00 C ATOM 1153 CE1 PHE A 75 9.064 1.258 -4.698 1.00 0.00 C ATOM 1154 CE2 PHE A 75 9.694 -0.078 -6.575 1.00 0.00 C ATOM 1155 CZ PHE A 75 9.953 0.395 -5.305 1.00 0.00 C ATOM 0 H PHE A 75 5.382 -0.759 -8.185 1.00 0.00 H new ATOM 0 HA PHE A 75 4.942 1.020 -5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 75 6.478 1.467 -8.446 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.205 2.696 -7.227 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.223 2.328 -4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 75 8.358 -0.056 -8.238 1.00 0.00 H new ATOM 0 HE1 PHE A 75 9.266 1.628 -3.703 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.387 -0.757 -7.049 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.850 0.090 -4.787 1.00 0.00 H new ATOM 1165 N VAL A 76 2.772 0.615 -7.817 1.00 0.00 N ATOM 1166 CA VAL A 76 1.375 1.070 -8.004 1.00 0.00 C ATOM 1167 C VAL A 76 0.587 0.633 -6.767 1.00 0.00 C ATOM 1168 O VAL A 76 0.833 -0.442 -6.249 1.00 0.00 O ATOM 1169 CB VAL A 76 0.703 0.500 -9.311 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.821 0.761 -9.343 1.00 0.00 C ATOM 1171 CG2 VAL A 76 1.359 1.089 -10.578 1.00 0.00 C ATOM 0 H VAL A 76 2.887 -0.397 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 76 1.373 2.153 -8.124 1.00 0.00 H new ATOM 0 HB VAL A 76 0.862 -0.578 -9.296 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.241 0.351 -10.261 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.290 0.282 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.007 1.834 -9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.875 0.677 -11.463 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.248 2.173 -10.575 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.418 0.833 -10.592 1.00 0.00 H new ATOM 1181 N LEU A 77 -0.363 1.467 -6.337 1.00 0.00 N ATOM 1182 CA LEU A 77 -1.106 1.310 -5.066 1.00 0.00 C ATOM 1183 C LEU A 77 -1.917 0.003 -4.943 1.00 0.00 C ATOM 1184 O LEU A 77 -1.988 -0.554 -3.850 1.00 0.00 O ATOM 1185 CB LEU A 77 -2.012 2.559 -4.837 1.00 0.00 C ATOM 1186 CG LEU A 77 -1.394 3.679 -3.951 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -1.285 3.216 -2.481 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -0.031 4.159 -4.504 1.00 0.00 C ATOM 0 H LEU A 77 -0.649 2.290 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.354 1.236 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.266 2.986 -5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.945 2.231 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.065 4.537 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.850 4.014 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.278 2.975 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.650 2.332 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.369 4.941 -3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.665 3.321 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.166 4.554 -5.511 1.00 0.00 H new ATOM 1200 N LYS A 78 -2.531 -0.463 -6.041 1.00 0.00 N ATOM 1201 CA LYS A 78 -3.317 -1.727 -6.035 1.00 0.00 C ATOM 1202 C LYS A 78 -2.378 -2.941 -5.854 1.00 0.00 C ATOM 1203 O LYS A 78 -2.662 -3.853 -5.064 1.00 0.00 O ATOM 1204 CB LYS A 78 -4.160 -1.854 -7.342 1.00 0.00 C ATOM 1205 CG LYS A 78 -3.328 -1.786 -8.641 1.00 0.00 C ATOM 1206 CD LYS A 78 -4.182 -1.719 -9.923 1.00 0.00 C ATOM 1207 CE LYS A 78 -3.323 -1.539 -11.191 1.00 0.00 C ATOM 1208 NZ LYS A 78 -2.382 -2.668 -11.409 1.00 0.00 N ATOM 0 H LYS A 78 -2.505 0.007 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.009 -1.706 -5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.703 -2.799 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.905 -1.059 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.680 -0.911 -8.601 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.680 -2.661 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.771 -2.632 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.887 -0.891 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.977 -1.443 -12.058 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.758 -0.610 -11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.978 -2.604 -12.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.617 -2.623 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.892 -3.569 -11.308 1.00 0.00 H new ATOM 1222 N ASN A 79 -1.235 -2.897 -6.552 1.00 0.00 N ATOM 1223 CA ASN A 79 -0.212 -3.955 -6.516 1.00 0.00 C ATOM 1224 C ASN A 79 0.457 -3.998 -5.136 1.00 0.00 C ATOM 1225 O ASN A 79 0.570 -5.057 -4.525 1.00 0.00 O ATOM 1226 CB ASN A 79 0.847 -3.695 -7.609 1.00 0.00 C ATOM 1227 CG ASN A 79 0.262 -3.692 -9.021 1.00 0.00 C ATOM 1228 OD1 ASN A 79 -0.196 -2.664 -9.506 1.00 0.00 O ATOM 1229 ND2 ASN A 79 0.259 -4.836 -9.679 1.00 0.00 N ATOM 0 H ASN A 79 -0.991 -2.119 -7.164 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.690 -4.917 -6.703 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.328 -2.736 -7.419 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.622 -4.459 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.132 -4.882 -10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.648 -5.674 -9.247 1.00 0.00 H new ATOM 1236 N LEU A 80 0.849 -2.806 -4.663 1.00 0.00 N ATOM 1237 CA LEU A 80 1.488 -2.582 -3.358 1.00 0.00 C ATOM 1238 C LEU A 80 0.588 -3.094 -2.223 1.00 0.00 C ATOM 1239 O LEU A 80 1.036 -3.859 -1.382 1.00 0.00 O ATOM 1240 CB LEU A 80 1.787 -1.064 -3.182 1.00 0.00 C ATOM 1241 CG LEU A 80 2.485 -0.629 -1.852 1.00 0.00 C ATOM 1242 CD1 LEU A 80 3.897 -1.254 -1.706 1.00 0.00 C ATOM 1243 CD2 LEU A 80 2.532 0.913 -1.725 1.00 0.00 C ATOM 0 H LEU A 80 0.726 -1.944 -5.195 1.00 0.00 H new ATOM 0 HA LEU A 80 2.426 -3.136 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.413 -0.743 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.845 -0.521 -3.264 1.00 0.00 H new ATOM 0 HG LEU A 80 1.882 -1.013 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.345 -0.925 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.816 -2.341 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.524 -0.936 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.023 1.186 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.090 1.330 -2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.517 1.310 -1.731 1.00 0.00 H new ATOM 1255 N ALA A 81 -0.701 -2.697 -2.260 1.00 0.00 N ATOM 1256 CA ALA A 81 -1.716 -3.098 -1.253 1.00 0.00 C ATOM 1257 C ALA A 81 -1.910 -4.624 -1.207 1.00 0.00 C ATOM 1258 O ALA A 81 -2.161 -5.184 -0.146 1.00 0.00 O ATOM 1259 CB ALA A 81 -3.056 -2.397 -1.526 1.00 0.00 C ATOM 0 H ALA A 81 -1.072 -2.088 -2.989 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.344 -2.785 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.786 -2.704 -0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.918 -1.317 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.415 -2.672 -2.518 1.00 0.00 H new ATOM 1265 N ALA A 82 -1.787 -5.277 -2.373 1.00 0.00 N ATOM 1266 CA ALA A 82 -1.864 -6.748 -2.479 1.00 0.00 C ATOM 1267 C ALA A 82 -0.664 -7.416 -1.771 1.00 0.00 C ATOM 1268 O ALA A 82 -0.826 -8.422 -1.070 1.00 0.00 O ATOM 1269 CB ALA A 82 -1.934 -7.175 -3.955 1.00 0.00 C ATOM 0 H ALA A 82 -1.632 -4.807 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.774 -7.080 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.990 -8.262 -4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.819 -6.739 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.042 -6.828 -4.477 1.00 0.00 H new ATOM 1275 N ARG A 83 0.535 -6.825 -1.966 1.00 0.00 N ATOM 1276 CA ARG A 83 1.794 -7.305 -1.349 1.00 0.00 C ATOM 1277 C ARG A 83 1.770 -7.141 0.181 1.00 0.00 C ATOM 1278 O ARG A 83 2.227 -8.011 0.916 1.00 0.00 O ATOM 1279 CB ARG A 83 3.016 -6.553 -1.933 1.00 0.00 C ATOM 1280 CG ARG A 83 3.138 -6.603 -3.472 1.00 0.00 C ATOM 1281 CD ARG A 83 3.164 -8.038 -4.026 1.00 0.00 C ATOM 1282 NE ARG A 83 4.366 -8.786 -3.602 1.00 0.00 N ATOM 1283 CZ ARG A 83 5.120 -9.555 -4.406 1.00 0.00 C ATOM 1284 NH1 ARG A 83 4.846 -9.672 -5.697 1.00 0.00 N ATOM 1285 NH2 ARG A 83 6.158 -10.196 -3.918 1.00 0.00 N ATOM 0 H ARG A 83 0.659 -6.002 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 83 1.882 -8.366 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.965 -5.510 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.923 -6.972 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.301 -6.063 -3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.048 -6.085 -3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.273 -8.569 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.126 -8.005 -5.115 1.00 0.00 H new ATOM 0 HE ARG A 83 4.645 -8.713 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.051 -9.174 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.430 -10.260 -6.291 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.392 -10.110 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.730 -10.780 -4.528 1.00 0.00 H new ATOM 1299 N ILE A 84 1.246 -6.006 0.626 1.00 0.00 N ATOM 1300 CA ILE A 84 1.083 -5.671 2.051 1.00 0.00 C ATOM 1301 C ILE A 84 0.114 -6.659 2.731 1.00 0.00 C ATOM 1302 O ILE A 84 0.429 -7.233 3.776 1.00 0.00 O ATOM 1303 CB ILE A 84 0.561 -4.192 2.160 1.00 0.00 C ATOM 1304 CG1 ILE A 84 1.647 -3.213 1.610 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.125 -3.817 3.599 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.199 -1.789 1.402 1.00 0.00 C ATOM 0 H ILE A 84 0.913 -5.272 0.001 1.00 0.00 H new ATOM 0 HA ILE A 84 2.040 -5.753 2.566 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.337 -4.105 1.549 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.491 -3.212 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.012 -3.602 0.660 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.226 -2.785 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.679 -4.479 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.973 -3.922 4.275 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.031 -1.198 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.378 -1.767 0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.864 -1.371 2.351 1.00 0.00 H new ATOM 1318 N ASP A 85 -1.056 -6.845 2.091 1.00 0.00 N ATOM 1319 CA ASP A 85 -2.138 -7.714 2.589 1.00 0.00 C ATOM 1320 C ASP A 85 -1.680 -9.185 2.729 1.00 0.00 C ATOM 1321 O ASP A 85 -1.967 -9.835 3.742 1.00 0.00 O ATOM 1322 CB ASP A 85 -3.363 -7.612 1.646 1.00 0.00 C ATOM 1323 CG ASP A 85 -4.596 -8.389 2.155 1.00 0.00 C ATOM 1324 OD1 ASP A 85 -4.739 -9.594 1.857 1.00 0.00 O ATOM 1325 OD2 ASP A 85 -5.429 -7.794 2.872 1.00 0.00 O ATOM 0 H ASP A 85 -1.278 -6.391 1.205 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.416 -7.370 3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.630 -6.563 1.522 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.086 -7.989 0.661 1.00 0.00 H new ATOM 1330 N GLU A 86 -0.956 -9.692 1.706 1.00 0.00 N ATOM 1331 CA GLU A 86 -0.458 -11.091 1.690 1.00 0.00 C ATOM 1332 C GLU A 86 0.631 -11.295 2.759 1.00 0.00 C ATOM 1333 O GLU A 86 0.769 -12.394 3.295 1.00 0.00 O ATOM 1334 CB GLU A 86 0.073 -11.508 0.285 1.00 0.00 C ATOM 1335 CG GLU A 86 1.379 -10.819 -0.156 1.00 0.00 C ATOM 1336 CD GLU A 86 1.893 -11.280 -1.529 1.00 0.00 C ATOM 1337 OE1 GLU A 86 1.364 -10.810 -2.561 1.00 0.00 O ATOM 1338 OE2 GLU A 86 2.820 -12.121 -1.585 1.00 0.00 O ATOM 0 H GLU A 86 -0.702 -9.154 0.878 1.00 0.00 H new ATOM 0 HA GLU A 86 -1.305 -11.736 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.231 -12.587 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.699 -11.295 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.219 -9.741 -0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.149 -11.009 0.592 1.00 0.00 H new ATOM 1345 N LEU A 87 1.408 -10.231 3.044 1.00 0.00 N ATOM 1346 CA LEU A 87 2.395 -10.231 4.141 1.00 0.00 C ATOM 1347 C LEU A 87 1.712 -10.298 5.515 1.00 0.00 C ATOM 1348 O LEU A 87 2.200 -11.003 6.395 1.00 0.00 O ATOM 1349 CB LEU A 87 3.339 -9.001 4.066 1.00 0.00 C ATOM 1350 CG LEU A 87 4.416 -9.041 2.937 1.00 0.00 C ATOM 1351 CD1 LEU A 87 5.266 -7.757 2.938 1.00 0.00 C ATOM 1352 CD2 LEU A 87 5.302 -10.305 3.053 1.00 0.00 C ATOM 0 H LEU A 87 1.370 -9.354 2.524 1.00 0.00 H new ATOM 0 HA LEU A 87 3.001 -11.129 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.730 -8.107 3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.848 -8.898 5.024 1.00 0.00 H new ATOM 0 HG LEU A 87 3.896 -9.092 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.008 -7.811 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.621 -6.894 2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.771 -7.656 3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.043 -10.305 2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.810 -10.306 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.679 -11.195 2.970 1.00 0.00 H new ATOM 1364 N VAL A 88 0.582 -9.571 5.686 1.00 0.00 N ATOM 1365 CA VAL A 88 -0.215 -9.614 6.938 1.00 0.00 C ATOM 1366 C VAL A 88 -0.776 -11.036 7.140 1.00 0.00 C ATOM 1367 O VAL A 88 -0.683 -11.613 8.233 1.00 0.00 O ATOM 1368 CB VAL A 88 -1.402 -8.566 6.960 1.00 0.00 C ATOM 1369 CG1 VAL A 88 -2.185 -8.631 8.299 1.00 0.00 C ATOM 1370 CG2 VAL A 88 -0.891 -7.129 6.702 1.00 0.00 C ATOM 0 H VAL A 88 0.201 -8.948 4.974 1.00 0.00 H new ATOM 0 HA VAL A 88 0.457 -9.344 7.752 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.084 -8.833 6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.993 -7.900 8.284 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.602 -9.630 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.511 -8.409 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.731 -6.435 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.173 -6.854 7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.409 -7.084 5.726 1.00 0.00 H new ATOM 1380 N ALA A 89 -1.290 -11.599 6.037 1.00 0.00 N ATOM 1381 CA ALA A 89 -1.915 -12.932 6.002 1.00 0.00 C ATOM 1382 C ALA A 89 -0.896 -14.044 6.319 1.00 0.00 C ATOM 1383 O ALA A 89 -1.206 -14.983 7.053 1.00 0.00 O ATOM 1384 CB ALA A 89 -2.554 -13.168 4.623 1.00 0.00 C ATOM 0 H ALA A 89 -1.284 -11.135 5.129 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.687 -12.967 6.771 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.016 -14.155 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.313 -12.408 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.786 -13.108 3.851 1.00 0.00 H new ATOM 1390 N ALA A 90 0.311 -13.923 5.745 1.00 0.00 N ATOM 1391 CA ALA A 90 1.386 -14.922 5.891 1.00 0.00 C ATOM 1392 C ALA A 90 2.088 -14.851 7.267 1.00 0.00 C ATOM 1393 O ALA A 90 2.422 -15.895 7.843 1.00 0.00 O ATOM 1394 CB ALA A 90 2.409 -14.754 4.758 1.00 0.00 C ATOM 0 H ALA A 90 0.572 -13.127 5.164 1.00 0.00 H new ATOM 0 HA ALA A 90 0.923 -15.907 5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.201 -15.494 4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.914 -14.895 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.839 -13.753 4.801 1.00 0.00 H new ATOM 1400 N LYS A 91 2.310 -13.623 7.788 1.00 0.00 N ATOM 1401 CA LYS A 91 3.048 -13.415 9.063 1.00 0.00 C ATOM 1402 C LYS A 91 2.187 -13.851 10.263 1.00 0.00 C ATOM 1403 O LYS A 91 2.714 -14.324 11.276 1.00 0.00 O ATOM 1404 CB LYS A 91 3.476 -11.928 9.249 1.00 0.00 C ATOM 1405 CG LYS A 91 2.307 -10.957 9.539 1.00 0.00 C ATOM 1406 CD LYS A 91 2.751 -9.525 9.871 1.00 0.00 C ATOM 1407 CE LYS A 91 1.556 -8.636 10.255 1.00 0.00 C ATOM 1408 NZ LYS A 91 0.843 -9.154 11.451 1.00 0.00 N ATOM 0 H LYS A 91 1.991 -12.760 7.349 1.00 0.00 H new ATOM 0 HA LYS A 91 3.948 -14.028 9.015 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.193 -11.869 10.068 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.993 -11.596 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.647 -10.930 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.722 -11.347 10.372 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.468 -9.547 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.264 -9.094 9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.906 -7.622 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.863 -8.577 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.243 -8.404 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.250 -9.964 11.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.536 -9.458 12.164 1.00 0.00 H new ATOM 1422 N GLY A 92 0.859 -13.658 10.137 1.00 0.00 N ATOM 1423 CA GLY A 92 -0.082 -13.979 11.202 1.00 0.00 C ATOM 1424 C GLY A 92 -0.657 -15.372 11.052 1.00 0.00 C ATOM 1425 O GLY A 92 -1.063 -15.973 12.048 1.00 0.00 O ATOM 0 H GLY A 92 0.422 -13.278 9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.420 -13.896 12.166 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.893 -13.250 11.201 1.00 0.00 H new ATOM 1429 N ALA A 93 -0.695 -15.868 9.784 1.00 0.00 N ATOM 1430 CA ALA A 93 -1.291 -17.170 9.411 1.00 0.00 C ATOM 1431 C ALA A 93 -2.777 -17.230 9.830 1.00 0.00 C ATOM 1432 O ALA A 93 -3.398 -16.189 10.092 1.00 0.00 O ATOM 1433 CB ALA A 93 -0.454 -18.331 9.996 1.00 0.00 C ATOM 0 H ALA A 93 -0.306 -15.364 8.987 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.270 -17.278 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.904 -19.283 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.562 -18.280 9.605 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.429 -18.250 11.083 1.00 0.00 H new ATOM 1439 N LEU A 94 -3.363 -18.429 9.827 1.00 0.00 N ATOM 1440 CA LEU A 94 -4.701 -18.651 10.389 1.00 0.00 C ATOM 1441 C LEU A 94 -4.557 -18.815 11.909 1.00 0.00 C ATOM 1442 O LEU A 94 -3.844 -19.725 12.358 1.00 0.00 O ATOM 1443 CB LEU A 94 -5.345 -19.899 9.740 1.00 0.00 C ATOM 1444 CG LEU A 94 -5.512 -19.840 8.183 1.00 0.00 C ATOM 1445 CD1 LEU A 94 -6.123 -21.142 7.639 1.00 0.00 C ATOM 1446 CD2 LEU A 94 -6.344 -18.603 7.737 1.00 0.00 C ATOM 0 H LEU A 94 -2.930 -19.267 9.439 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.355 -17.804 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.740 -20.770 9.990 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.327 -20.054 10.188 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.515 -19.732 7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.227 -21.071 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.472 -21.981 7.887 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.104 -21.299 8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.437 -18.599 6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.336 -18.651 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.843 -17.691 8.062 1.00 0.00 H new ATOM 1458 N GLU A 95 -5.207 -17.918 12.692 1.00 0.00 N ATOM 1459 CA GLU A 95 -5.112 -17.912 14.179 1.00 0.00 C ATOM 1460 C GLU A 95 -5.579 -19.261 14.776 1.00 0.00 C ATOM 1461 O GLU A 95 -5.166 -19.654 15.868 1.00 0.00 O ATOM 1462 CB GLU A 95 -5.910 -16.709 14.785 1.00 0.00 C ATOM 1463 CG GLU A 95 -7.459 -16.840 14.854 1.00 0.00 C ATOM 1464 CD GLU A 95 -8.138 -17.094 13.493 1.00 0.00 C ATOM 1465 OE1 GLU A 95 -8.158 -16.172 12.653 1.00 0.00 O ATOM 1466 OE2 GLU A 95 -8.651 -18.211 13.256 1.00 0.00 O ATOM 0 H GLU A 95 -5.807 -17.183 12.317 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.064 -17.783 14.449 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.541 -16.535 15.796 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.673 -15.819 14.202 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -7.713 -17.656 15.531 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.870 -15.928 15.287 1.00 0.00 H new ATOM 1473 N HIS A 96 -6.480 -19.922 14.036 1.00 0.00 N ATOM 1474 CA HIS A 96 -6.878 -21.320 14.226 1.00 0.00 C ATOM 1475 C HIS A 96 -6.854 -21.956 12.828 1.00 0.00 C ATOM 1476 O HIS A 96 -7.368 -21.347 11.886 1.00 0.00 O ATOM 1477 CB HIS A 96 -8.310 -21.428 14.833 1.00 0.00 C ATOM 1478 CG HIS A 96 -8.537 -20.581 16.059 1.00 0.00 C ATOM 1479 ND1 HIS A 96 -9.332 -19.453 16.057 1.00 0.00 N ATOM 1480 CD2 HIS A 96 -8.069 -20.698 17.326 1.00 0.00 C ATOM 1481 CE1 HIS A 96 -9.338 -18.916 17.263 1.00 0.00 C ATOM 1482 NE2 HIS A 96 -8.581 -19.652 18.052 1.00 0.00 N ATOM 0 H HIS A 96 -6.969 -19.478 13.259 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.204 -21.822 14.920 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.036 -21.143 14.071 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -8.506 -22.470 15.086 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -7.413 -21.472 17.696 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -9.873 -18.024 17.554 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -8.405 -19.473 19.041 1.00 0.00 H new ATOM 1491 N HIS A 97 -6.254 -23.150 12.683 1.00 0.00 N ATOM 1492 CA HIS A 97 -6.099 -23.819 11.365 1.00 0.00 C ATOM 1493 C HIS A 97 -7.437 -24.438 10.902 1.00 0.00 C ATOM 1494 O HIS A 97 -7.667 -25.645 11.034 1.00 0.00 O ATOM 1495 CB HIS A 97 -4.954 -24.877 11.417 1.00 0.00 C ATOM 1496 CG HIS A 97 -3.563 -24.298 11.513 1.00 0.00 C ATOM 1497 ND1 HIS A 97 -2.462 -24.907 10.951 1.00 0.00 N ATOM 1498 CD2 HIS A 97 -3.096 -23.175 12.112 1.00 0.00 C ATOM 1499 CE1 HIS A 97 -1.388 -24.195 11.208 1.00 0.00 C ATOM 1500 NE2 HIS A 97 -1.741 -23.137 11.912 1.00 0.00 N ATOM 0 H HIS A 97 -5.864 -23.680 13.463 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.818 -23.070 10.625 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.121 -25.531 12.273 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.013 -25.500 10.524 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -3.684 -22.445 12.648 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -0.383 -24.436 10.895 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.110 -22.411 12.251 1.00 0.00 H new ATOM 1509 N HIS A 98 -8.338 -23.556 10.428 1.00 0.00 N ATOM 1510 CA HIS A 98 -9.671 -23.900 9.883 1.00 0.00 C ATOM 1511 C HIS A 98 -9.957 -22.972 8.680 1.00 0.00 C ATOM 1512 O HIS A 98 -9.113 -22.139 8.321 1.00 0.00 O ATOM 1513 CB HIS A 98 -10.790 -23.723 10.960 1.00 0.00 C ATOM 1514 CG HIS A 98 -10.695 -24.634 12.171 1.00 0.00 C ATOM 1515 ND1 HIS A 98 -11.484 -25.755 12.340 1.00 0.00 N ATOM 1516 CD2 HIS A 98 -9.918 -24.569 13.287 1.00 0.00 C ATOM 1517 CE1 HIS A 98 -11.199 -26.335 13.493 1.00 0.00 C ATOM 1518 NE2 HIS A 98 -10.257 -25.635 14.086 1.00 0.00 N ATOM 0 H HIS A 98 -8.155 -22.553 10.412 1.00 0.00 H new ATOM 0 HA HIS A 98 -9.670 -24.945 9.575 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.775 -22.689 11.305 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.756 -23.885 10.482 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.173 -23.818 13.504 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -11.661 -27.231 13.882 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -9.844 -25.849 14.994 1.00 0.00 H new ATOM 1527 N HIS A 99 -11.148 -23.097 8.062 1.00 0.00 N ATOM 1528 CA HIS A 99 -11.573 -22.187 6.969 1.00 0.00 C ATOM 1529 C HIS A 99 -12.035 -20.816 7.512 1.00 0.00 C ATOM 1530 O HIS A 99 -12.167 -19.864 6.731 1.00 0.00 O ATOM 1531 CB HIS A 99 -12.687 -22.840 6.095 1.00 0.00 C ATOM 1532 CG HIS A 99 -12.175 -23.839 5.091 1.00 0.00 C ATOM 1533 ND1 HIS A 99 -11.895 -23.502 3.781 1.00 0.00 N ATOM 1534 CD2 HIS A 99 -11.885 -25.154 5.205 1.00 0.00 C ATOM 1535 CE1 HIS A 99 -11.456 -24.567 3.139 1.00 0.00 C ATOM 1536 NE2 HIS A 99 -11.439 -25.582 3.982 1.00 0.00 N ATOM 0 H HIS A 99 -11.834 -23.815 8.297 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.702 -22.014 6.337 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -13.404 -23.334 6.750 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -13.227 -22.054 5.567 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -11.986 -25.756 6.096 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -11.161 -24.602 2.101 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -11.142 -26.532 3.759 1.00 0.00 H new ATOM 1545 N HIS A 100 -12.289 -20.750 8.845 1.00 0.00 N ATOM 1546 CA HIS A 100 -12.744 -19.534 9.567 1.00 0.00 C ATOM 1547 C HIS A 100 -14.181 -19.126 9.129 1.00 0.00 C ATOM 1548 O HIS A 100 -14.650 -18.028 9.440 1.00 0.00 O ATOM 1549 CB HIS A 100 -11.722 -18.368 9.381 1.00 0.00 C ATOM 1550 CG HIS A 100 -11.871 -17.227 10.363 1.00 0.00 C ATOM 1551 ND1 HIS A 100 -12.647 -16.112 10.125 1.00 0.00 N ATOM 1552 CD2 HIS A 100 -11.321 -17.037 11.585 1.00 0.00 C ATOM 1553 CE1 HIS A 100 -12.570 -15.296 11.157 1.00 0.00 C ATOM 1554 NE2 HIS A 100 -11.771 -15.832 12.056 1.00 0.00 N ATOM 0 H HIS A 100 -12.181 -21.557 9.459 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.789 -19.762 10.632 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -10.713 -18.772 9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.823 -17.973 8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.650 -17.712 12.095 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.077 -14.347 11.250 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.527 -15.418 12.956 1.00 0.00 H new ATOM 1563 N HIS A 101 -14.874 -20.053 8.436 1.00 0.00 N ATOM 1564 CA HIS A 101 -16.227 -19.857 7.892 1.00 0.00 C ATOM 1565 C HIS A 101 -16.644 -21.178 7.204 1.00 0.00 C ATOM 1566 O HIS A 101 -16.247 -21.407 6.042 1.00 0.00 O ATOM 1567 CB HIS A 101 -16.293 -18.641 6.902 1.00 0.00 C ATOM 1568 CG HIS A 101 -17.660 -18.382 6.313 1.00 0.00 C ATOM 1569 ND1 HIS A 101 -18.737 -17.958 7.063 1.00 0.00 N ATOM 1570 CD2 HIS A 101 -18.120 -18.508 5.044 1.00 0.00 C ATOM 1571 CE1 HIS A 101 -19.794 -17.833 6.283 1.00 0.00 C ATOM 1572 NE2 HIS A 101 -19.446 -18.160 5.054 1.00 0.00 N ATOM 1573 OXT HIS A 101 -17.319 -22.008 7.843 1.00 0.00 O ATOM 0 H HIS A 101 -14.496 -20.979 8.236 1.00 0.00 H new ATOM 0 HA HIS A 101 -16.920 -19.615 8.697 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -15.962 -17.744 7.426 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.588 -18.813 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -17.548 -18.824 4.184 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -20.777 -17.517 6.598 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -20.063 -18.155 4.242 1.00 0.00 H new TER 1582 HIS A 101